SCHEMBL13256281

SCHEMBL13256281

O=C(Nc1nc2[nH]nc(-c3ccccc3)c2s1)c1cccc(Br)c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 3/20 0.48
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
KMT2A Q03164 2/20 0.47
ALDH1A1 P00352 2/20 0.47
ATM Q13315 1/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
GFER P55789 1/20 0.46
MEN1 O00255 1/20 0.46
MAPT P10636 5/20 0.45
ADORA2A P29274 3/20 0.45
ADORA1 P30542 3/20 0.45
TDP2 O95551 1/20 0.44
LMNA P02545 2/20 0.44
TP53 P04637 1/20 0.44
CCNA2 P20248 1/20 0.44
CDK2 P24941 1/20 0.44
CCNA1 P78396 1/20 0.44
GRM5 P41594 1/20 0.44
KDR P35968 1/20 0.43

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
SCHEMBL13256306 0.93 ADORA3 (0.48) ADORA3NPC1RAB9AKMT2AALDH1A1
SCHEMBL13256172 0.87 SCD (0.57) ADORA3NPC1RAB9AKMT2AALDH1A1
SCHEMBL3501254 0.83 ADORA1 (0.52) ADORA3NPC1RAB9AKMT2AALDH1A1
SCHEMBL13256183 0.82 MAPK14 (0.54) ADORA3NPC1RAB9AKMT2AALDH1A1
SCHEMBL13256284 0.81 F2 (0.54) ADORA3NPC1RAB9AKMT2AALDH1A1
SCHEMBL3500537 0.81 PARP1 (0.54) ADORA3NPC1RAB9AKMT2AALDH1A1
SCHEMBL13256173 0.81 PTGDR2 (0.61) ADORA3NPC1RAB9AKMT2AALDH1A1
SCHEMBL13256178 0.80 MAPT (0.50) ADORA3NPC1RAB9AKMT2AALDH1A1
SCHEMBL13283501 0.79 ADORA3 (0.49) ADORA3NPC1RAB9AKMT2AALDH1A1
SCHEMBL13256182 0.79 ADORA3 (0.46) ADORA3NPC1RAB9AKMT2AALDH1A1

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 ADORA3 2528/4885NPC1 2951/4885RAB9A 1601/4885

“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.