SCHEMBL13256161

SCHEMBL13256161

CC(=O)Nc1nc2[nH]nc(-c3ccccc3Br)c2s1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.45
DYRK1A Q13627 4/20 0.44
ADORA1 P30542 1/20 0.44
NPC1 O15118 3/20 0.40
RAB9A P51151 3/20 0.40
CYP1A2 P05177 3/20 0.40
CYP2C9 P11712 2/20 0.40
CYP2C19 P33261 2/20 0.40
CA1 P00915 1/20 0.40
CA2 P00918 1/20 0.40
CA9 Q16790 1/20 0.40
CYP3A4 P08684 1/20 0.40
ALDH1A1 P00352 3/20 0.40
HSD17B10 Q99714 3/20 0.40
KDM4E B2RXH2 3/20 0.40
TP53 P04637 2/20 0.40
HPGD P15428 2/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
MAPT P10636 2/20 0.40
NFKB1 P19838 1/20 0.40

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
SCHEMBL13256303 0.85 LIMK1 (0.46) POLBDYRK1AADORA1NPC1RAB9A
SCHEMBL13256302 0.84 GSK3A (0.47) ADORA1NPC1RAB9AALDH1A1HSD17B10
SCHEMBL13256166 0.82 ALDH1A1 (0.53) POLBDYRK1AADORA1NPC1RAB9A
SCHEMBL13256167 0.82 RAB9A (0.51) NPC1RAB9ACYP1A2CYP2C9CYP2C19
SCHEMBL13256168 0.81 PKM (0.54) POLBADORA1NPC1RAB9AALDH1A1
SCHEMBL3501617 0.79 GRM2 (0.38) DYRK1ANPC1RAB9AALDH1A1HSD17B10
SCHEMBL3501620 0.76 MYC (0.50) DYRK1AADORA1NPC1RAB9ACYP1A2
SCHEMBL3500991 0.72 MAPT (0.67) DYRK1AADORA1NPC1RAB9ACYP1A2
SCHEMBL13256307 0.72 LIMK1 (0.49) POLBNPC1RAB9ACYP1A2CYP2C9
SCHEMBL13256177 0.71 MAPT (0.41) NPC1RAB9AALDH1A1HSD17B10KDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100179190-A1 BICYCLIC PYRAZOLO PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2010-07-15 US disclosed
US-20100179190-A1 BICYCLIC PYRAZOLO PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2010-07-15 US disclosed
US-7473783-B2 Bicyclic pyrazolo protein kinase modulators SGX PHARMACEUTICALS, INC. (US) 2009-01-06 US disclosed
US-7473783-B2 Bicyclic pyrazolo protein kinase modulators SGX PHARMACEUTICALS, INC. (US) 2009-01-06 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 (1 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-20100179190-A1 BICYCLIC PYRAZOLO PROTEIN KINASE MODULATORS MAP3K20, MAP4K2, MAP4K3 POLB 3322/4885DYRK1A 476/4885ADORA1 3115/4885

“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.