SCHEMBL179523

SCHEMBL179523

CC(C)(C)c1ccc2sc(N)nc2c1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SCN4A P35499 2/20 0.51
EPHX2 P34913 1/20 0.51
SMN1; SMN2 Q16637 3/20 0.50
CYP3A4 P08684 2/20 0.50
ALDH1A1 P00352 1/20 0.50
TP53 P04637 1/20 0.50
TSHR P16473 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
RAB9A P51151 3/20 0.47
MAPT P10636 1/20 0.47
FTO Q9C0B1 1/20 0.47
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
NPC1 O15118 2/20 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
SCHEMBL111586 0.86 SCN4A (0.70) SCN4AEPHX2SMN1; SMN2CYP3A4ALDH1A1
SCHEMBL20049733 0.83 RAB9A (0.46) SCN4AEPHX2SMN1; SMN2CYP3A4ALDH1A1
SCHEMBL1913811 0.82 SCN4A (0.75) SCN4AEPHX2SMN1; SMN2CYP3A4ALDH1A1
SCHEMBL30261092 0.82 SCN4A (0.75) SCN4AEPHX2SMN1; SMN2CYP3A4ALDH1A1
Hydrochloric Acid SCHEMBL9362913 0.81 SCN4A (0.73) SCN4AEPHX2SMN1; SMN2CYP3A4ALDH1A1
SCHEMBL84370 0.80 TRPV1 (0.59) SMN1; SMN2ALDH1A1TP53RAB9AMAPT
SCHEMBL2705399 0.80 CASR (0.44) HDAC3HDAC1HDAC2HDAC8HDAC6
SCHEMBL6090372 0.79 NOS3 (0.48) SCN4AEPHX2SMN1; SMN2CYP3A4ALDH1A1
SCHEMBL24133162 0.79 TRPV1 (0.42) ALDH1A1HDAC3HDAC1HDAC2HDAC8
SCHEMBL3148361 0.79 TRPV1 (0.45) SMN1; SMN2ALDH1A1RAB9AMAPTHDAC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12030853-B2 MASP-2 inhibitors and methods of use OMEROS CORPORATION (US) 2024-07-09 US disclosed
US-12030853-B2 MASP-2 inhibitors and methods of use OMEROS CORPORATION (US) 2024-07-09 US disclosed
US-20240209000-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2024-06-27 US disclosed
US-20240209000-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE LLC 2024-06-27 US disclosed
US-20230364097-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS INFINITY PHARMACEUTICALS, INC. (US) 2023-11-16 US disclosed
US-20230364097-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS INFINITY PHARMACEUTICALS, INC. (US) 2023-11-16 US disclosed
US-11807641-B2 MASP-2 inhibitors and methods of use OMEROS CORPORATION (US) 2023-11-07 US disclosed
US-11807641-B2 MASP-2 inhibitors and methods of use OMEROS CORPORATION (US) 2023-11-07 US disclosed
EP-4233859-A1 INHIBITORS OF KINASE NETWORKS AND USES THEREOF Purdue Research Foundation (US) 2023-08-30 EP disclosed
EP-3600287-B1 INHIBITORS OF KINASE NETWORKS AND USES THEREOF PURDUE RESEARCH FOUNDATION (US) 2023-07-05 EP disclosed
US-20120149701-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE, INC. 2012-06-14 US disclosed
US-8193182-B2 Substituted isoquinolin-1(2H)-ones, and methods of use thereof INTELLIKINE, INC. (US) 2012-06-05 US disclosed
US-8193182-B2 Substituted isoquinolin-1(2H)-ones, and methods of use thereof INTELLIKINE, INC. (US) 2012-06-05 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-20090312319-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS INTELLIKINE 2009-12-17 US disclosed
US-7419967-B2 Sulfonamide inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-09-02 US disclosed
US-7419967-B2 Sulfonamide inhibitors of aspartyl protease VERTEX PHARMACEUTICALS INCORPORATED (US) 2008-09-02 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 (10 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-20090312319-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CB SCN4A 4478/4885EPHX2 973/4885SMN1; SMN2 3325/4885
US-11807641-B2 MASP-2 inhibitors and methods of use MASP2, METAP2, SPINT2 SCN4A 4408/4885EPHX2 2370/4885SMN1; SMN2 1476/4885
US-20120059000-A1 CHEMICAL COMPOUNDS, COMPOSITIONS AND METHODS FOR KINASE MODULATION MAP3K13, AKT3, PIK3CA SCN4A 2618/4885EPHX2 2473/4885SMN1; SMN2 2183/4885
US-20240209000-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, PIK3CG, PIK3CD SCN4A 4330/4885EPHX2 1000/4885SMN1; SMN2 2664/4885
US-20120122838-A1 HETEROCYCLIC COMPOUNDS AND USES THEREOF PIK3CA, PIK3CD, PIK3CB SCN4A 3955/4885EPHX2 1785/4885SMN1; SMN2 1464/4885
US-20110077268-A1 KINASE INHIBITORS AND METHODS OF USE MAP3K20, MAP3K1, PDPK1 SCN4A 4309/4885EPHX2 3469/4885SMN1; SMN2 4472/4885
US-20120149701-A1 CERTAIN CHEMICAL ENTITIES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A SCN4A 2911/4885EPHX2 1490/4885SMN1; SMN2 2859/4885
US-20110046165-A1 CERTAIN CHEMICAL ENTITLES, COMPOSITIONS AND METHODS PIK3CA, AKT3, PIK3C2A SCN4A 3338/4885EPHX2 1620/4885SMN1; SMN2 1064/4885
US-20230364097-A1 TREATMENT OF CANCERS USING PI3 KINASE ISOFORM MODULATORS PIK3CA, MCL1, PIK3CB SCN4A 3383/4885EPHX2 3518/4885SMN1; SMN2 1028/4885
US-12030853-B2 MASP-2 inhibitors and methods of use MASP2, METAP2, SPINT2 SCN4A 4408/4885EPHX2 2370/4885SMN1; SMN2 1476/4885

“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.