SCHEMBL6760692

SCHEMBL6760692

CCc1csc(-c2ccncc2)n1

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 6/20 0.56
NPC1 O15118 3/20 0.56
POLB P06746 1/20 0.56
GAA P10253 1/20 0.56
KDM4E B2RXH2 7/20 0.50
SMN1; SMN2 Q16637 4/20 0.50
AR P10275 2/20 0.49
KMT2A Q03164 1/20 0.49
GFER P55789 1/20 0.47
CYP19A1 P11511 2/20 0.47
MAPT P10636 1/20 0.46
HPGD P15428 2/20 0.46
LMNA P02545 2/20 0.46
ALDH1A1 P00352 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
SREBF1 P36956 1/20 0.44
SREBF2 Q12772 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
SCHEMBL153338 0.85 HPGD (0.60) RAB9ANPC1POLBGAAKDM4E
Hydrochloric Acid SCHEMBL17261462 0.83 HPGD (0.59) RAB9ANPC1POLBGAAKDM4E
SCHEMBL17130336 0.83 RAB9A (0.58) RAB9ANPC1POLBGAAKDM4E
SCHEMBL27306341 0.81 RAB9A (0.57) RAB9ANPC1POLBGAAKDM4E
SCHEMBL2225013 0.81 LMNA (0.62) RAB9ANPC1POLBGAAKDM4E
SCHEMBL533107 0.81 RAB9A (0.53) RAB9ANPC1POLBGAAKDM4E
SCHEMBL2056124 0.81 GFER (0.72) RAB9ANPC1POLBGAAKDM4E
SCHEMBL2056125 0.81 TP53 (0.55) RAB9ANPC1POLBGAAKDM4E
SCHEMBL2817593 0.81 CYP2E1 (0.64) RAB9ANPC1GAAKDM4ESMN1; SMN2
SCHEMBL10062532 0.81 RAB9A (0.48) RAB9ANPC1POLBGAAKDM4E

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8183351-B2 Avermectin derivatives BAYER CROPSCIENCE AG (DE) 2012-05-22 US disclosed
US-8183351-B2 Avermectin derivatives BAYER CROPSCIENCE AG (DE) 2012-05-22 US disclosed
WO-2012006203-A1 N-CYCLYL-3 - (CYCLYLCARBONYLAMINOMETHYL) BENZAMIDE DERIVATIVES AS RHO KINASE INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-01-12 WO disclosed
US-7879851-B2 such as (E)-3-[2-(1-{[2-(5-Bromopyrimidin-2-yl)-3-cyclopentyl-1-methyl-1H-indole-6-carbonyl]-amino}-cyclobutyl)-3-methyl-3H-benzoimidazol-5-yl]-acrylic Acid, used for the treatment of hepatitis C virus infections BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-02-01 US disclosed
US-20100234312-A1 AVERMECTIN DERIVATIVES BAYER CROPSCIENCE AG (DE) 2010-09-16 US disclosed
US-20100234312-A1 AVERMECTIN DERIVATIVES BAYER CROPSCIENCE AG (DE) 2010-09-16 US disclosed
US-20090170859-A1 Viral Polymerase Inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-07-02 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 (2 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-20100234312-A1 AVERMECTIN DERIVATIVES OXTR, C3AR1, CBR3 RAB9A 596/4885NPC1 2660/4885POLB 4554/4885
US-20090170859-A1 Viral Polymerase Inhibitors POLR2A, POLR1E, RPP30 RAB9A 102/4885NPC1 1411/4885POLB 11/4885

“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.