SCHEMBL240595

SCHEMBL240595

CCc1ccc2sc(N)nc2c1

nearest known ligand 0.75

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 5/20 0.75
RAB9A P51151 5/20 0.75
NPC1 O15118 3/20 0.75
CYP3A4 P08684 3/20 0.50
ALDH1A1 P00352 2/20 0.50
TP53 P04637 2/20 0.50
TSHR P16473 2/20 0.50
NOS3 P29474 1/20 0.50
NOS1 P29475 1/20 0.50
NOS2 P35228 1/20 0.50
PIK3CD O00329 1/20 0.50
PIK3CA P42336 1/20 0.50
PIK3CB P42338 1/20 0.50
PIK3CG P48736 1/20 0.50
MAPT P10636 2/20 0.49
HSD17B10 Q99714 2/20 0.47
FTO Q9C0B1 1/20 0.47
HDAC6 Q9UBN7 1/20 0.45
DRD2 P14416 1/20 0.44
KCNH2 Q12809 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL31484185 1.00 SMN1; SMN2 (0.75) SMN1; SMN2RAB9ANPC1CYP3A4ALDH1A1
SCHEMBL142514 0.86 RAB9A (1.00) SMN1; SMN2RAB9ANPC1CYP3A4ALDH1A1
SCHEMBL18364999 0.82 HSD17B10 (0.65) SMN1; SMN2RAB9ANPC1CYP3A4ALDH1A1
SCHEMBL13486440 0.81 RAB9A (0.51) SMN1; SMN2RAB9ANPC1CYP3A4ALDH1A1
SCHEMBL22048443 0.81 RAB9A (0.51) SMN1; SMN2RAB9ANPC1CYP3A4ALDH1A1
SCHEMBL31359187 0.80 HSD17B10 (0.72) SMN1; SMN2RAB9ANPC1ALDH1A1TP53
SCHEMBL464409 0.80 HSD17B10 (0.72) SMN1; SMN2RAB9ANPC1ALDH1A1TP53
SCHEMBL2756574 0.80 NPC1 (0.66) SMN1; SMN2RAB9ANPC1TP53TSHR
SCHEMBL11722744 0.79 RAB9A (0.49) SMN1; SMN2RAB9ANPC1CYP3A4ALDH1A1
SCHEMBL27720633 0.79 RAB9A (0.49) SMN1; SMN2RAB9ANPC1CYP3A4ALDH1A1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 36 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-118666864-A Pyrimidine-thiophene-benzothiazole compound or pharmaceutically acceptable salt thereof, and preparation and application thereof 皖南医学院 2024-09-20 CN disclosed
US-12030853-B2 MASP-2 inhibitors and methods of use OMEROS CORPORATION (US) 2024-07-09 US disclosed
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same TREVENA, INC. (US) 2024-02-27 US disclosed
US-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME TREVENA, INC. 2023-07-27 US disclosed
US-11661418-B2 MASP-2 inhibitors and methods of use OMEROS CORPORATION (US) 2023-05-30 US disclosed
US-20210188826-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME TREVENA, INC. 2021-06-24 US disclosed
US-20210179612-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION 2021-06-17 US disclosed
US-20210171512-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION 2021-06-10 US disclosed
US-20210171461-A1 MASP-2 INHIBITORS AND METHODS OF USE OMEROS CORPORATION 2021-06-10 US disclosed
US-20210147402-A1 COMPOUNDS AND METHODS OF PREPARING COMPOUNDS S1P1 MODULATORS TREVENA, INC. 2021-05-20 US disclosed
US-8193182-B2 Substituted isoquinolin-1(2H)-ones, and methods of use thereof INTELLIKINE, INC. (US) 2012-06-05 US disclosed
US-20120129850-A1 IMIDAZOLOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASE AMBIT BIOSCIENCES CORPORATION 2012-05-24 US disclosed
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF INFINITY PHARMACEUTICALS, INC. 2012-05-17 US disclosed
US-20120059000-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION INFINITY PHARMACEUTICALS, INC. 2012-03-08 US disclosed
US-20110077268-A1 KINASE INHIBITORS AND METHODS OF USE INTELLIKINE LLC 2011-03-31 US disclosed
US-20110046165-A1 CERTAIN CHEMICAL ENTITLES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2011-02-24 US disclosed
US-20100041618-A1 6-11 Bridged Oxime Erythromycin Derivatives ENANTA PHARMACEUTICALS, INC. 2010-02-18 US disclosed
US-20090312319-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE 2009-12-17 US disclosed
US-20080262208-A1 6-11 Bridged Oxime Erythromycin Derivatives WANG GUOQIANG 2008-10-23 US disclosed
US-7384922-B2 6-11 bridged oxime erythromycin derivatives ENANTA PHARMACEUTICALS, INC. (US) 2008-06-10 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (17 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20230234946-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 SMN1; SMN2 1320/4885RAB9A 3056/4885NPC1 301/4885
US-20090312319-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CB SMN1; SMN2 3325/4885RAB9A 1042/4885NPC1 1132/4885
US-20120059000-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION MAP3K13, AKT3, PIK3CA SMN1; SMN2 2183/4885RAB9A 1166/4885NPC1 1925/4885
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB SMN1; SMN2 1464/4885RAB9A 741/4885NPC1 1044/4885
US-20120129850-A1 IMIDAZOLOTHIAZOLE COMPOUNDS FOR THE TREATMENT OF DISEASE GRK2, GRK4, GRK3 SMN1; SMN2 1354/4885RAB9A 2687/4885NPC1 1112/4885
US-20110077268-A1 KINASE INHIBITORS AND METHODS OF USE MAP3K20, MAP3K1, PDPK1 SMN1; SMN2 4472/4885RAB9A 2801/4885NPC1 2078/4885
US-20210147402-A1 COMPOUNDS AND METHODS OF PREPARING COMPOUNDS S1P1 MODULATORS S1PR1, S1PR2, S1PR5 SMN1; SMN2 1107/4885RAB9A 2875/4885NPC1 149/4885
US-20100041618-A1 6-11 Bridged Oxime Erythromycin Derivatives CYP2D6, CYP2B6, CYP1B1 SMN1; SMN2 2350/4885RAB9A 2857/4885NPC1 1126/4885
US-20210179612-A1 MASP-2 INHIBITORS AND METHODS OF USE MASP2, METAP2, SPINT2 SMN1; SMN2 1476/4885RAB9A 2027/4885NPC1 2354/4885
US-20210171512-A1 MASP-2 INHIBITORS AND METHODS OF USE MASP2, METAP2, SPINT2 SMN1; SMN2 1476/4885RAB9A 2027/4885NPC1 2354/4885
US-11912693-B2 Compounds for modulating S1P1 activity and methods of using the same S1PR1, S1PR2, S1PR3 SMN1; SMN2 1320/4885RAB9A 3056/4885NPC1 301/4885
US-20110046165-A1 CERTAIN CHEMICAL ENTITLES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A SMN1; SMN2 1064/4885RAB9A 867/4885NPC1 1539/4885
US-20210188826-A1 COMPOUNDS FOR MODULATING S1P1 ACTIVITY AND METHODS OF USING THE SAME S1PR1, S1PR2, S1PR3 SMN1; SMN2 1320/4885RAB9A 3056/4885NPC1 301/4885
US-12030853-B2 MASP-2 inhibitors and methods of use MASP2, METAP2, SPINT2 SMN1; SMN2 1476/4885RAB9A 2027/4885NPC1 2354/4885
US-11661418-B2 MASP-2 inhibitors and methods of use MASP2, METAP2, SPINT2 SMN1; SMN2 1476/4885RAB9A 2027/4885NPC1 2354/4885
US-20210171461-A1 MASP-2 INHIBITORS AND METHODS OF USE MASP2, METAP2, SPINT2 SMN1; SMN2 1476/4885RAB9A 2027/4885NPC1 2354/4885
US-20080262208-A1 6-11 Bridged Oxime Erythromycin Derivatives CYP2D6, CYP2B6, CYP1B1 SMN1; SMN2 2350/4885RAB9A 2857/4885NPC1 1126/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.