SCHEMBL13256306

SCHEMBL13256306

O=C(Nc1nc2[nH]nc(-c3cccc(Br)c3)c2s1)c1ccccc1

nearest known ligand 0.48

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 6/20 0.48
NPC1 O15118 4/20 0.47
RAB9A P51151 4/20 0.47
KMT2A Q03164 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
ALDH1A1 P00352 1/20 0.47
KDR P35968 1/20 0.46
ADORA2A P29274 6/20 0.45
ADORA1 P30542 6/20 0.45
PKM P14618 1/20 0.43
MEN1 O00255 1/20 0.43
SCD O00767 2/20 0.43
F2 P00734 1/20 0.43
F12 P00748 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
SCHEMBL13256281 0.93 ADORA3 (0.48) ADORA3NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL3501254 0.88 ADORA1 (0.52) ADORA3NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL13256183 0.87 MAPK14 (0.54) ADORA3NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL13256178 0.84 MAPT (0.50) ADORA3NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL13256172 0.82 SCD (0.57) ADORA3NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL13256284 0.81 F2 (0.54) ADORA3NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL3500537 0.81 PARP1 (0.54) ADORA3NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL13256173 0.81 PTGDR2 (0.61) ADORA3NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL13283501 0.79 ADORA3 (0.49) ADORA3NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL13256189 0.78 ADORA3 (0.63) ADORA3NPC1RAB9AKMT2ASMN1; SMN2

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.