SCHEMBL3501254

SCHEMBL3501254

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 4/20 0.52
ADORA3 P0DMS8 3/20 0.52
ADORA2A P29274 3/20 0.52
MAPK14 Q16539 1/20 0.48
PTGDR2 Q9Y5Y4 1/20 0.48
NPC1 O15118 4/20 0.48
RAB9A P51151 3/20 0.48
ALDH1A1 P00352 2/20 0.48
KMT2A Q03164 2/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
KDR P35968 1/20 0.47
HSP90AA1 P07900 1/20 0.46
HSP90AB1 P08238 1/20 0.46
MAPT P10636 2/20 0.46
KDM4E B2RXH2 1/20 0.46
MEN1 O00255 1/20 0.46
CYP1A2 P05177 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C9 P11712 1/20 0.46

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
SCHEMBL13256173 0.88 PTGDR2 (0.61) ADORA1ADORA3ADORA2APTGDR2NPC1
SCHEMBL13256306 0.88 ADORA3 (0.48) ADORA1ADORA3ADORA2ANPC1RAB9A
SCHEMBL13256183 0.88 MAPK14 (0.54) ADORA1ADORA3ADORA2AMAPK14NPC1
SCHEMBL13256178 0.85 MAPT (0.50) ADORA3MAPK14NPC1RAB9AALDH1A1
SCHEMBL13256281 0.83 ADORA3 (0.48) ADORA1ADORA3ADORA2ANPC1RAB9A
SCHEMBL13256172 0.83 SCD (0.57) ADORA1ADORA3ADORA2AMAPK14NPC1
SCHEMBL3500537 0.82 PARP1 (0.54) ADORA1ADORA3ADORA2ANPC1RAB9A
SCHEMBL13256284 0.82 F2 (0.54) ADORA1ADORA3ADORA2APTGDR2NPC1
SCHEMBL13256169 0.80 RAB9A (0.50) ADORA1ADORA3ADORA2ANPC1RAB9A
SCHEMBL13283501 0.80 ADORA3 (0.49) ADORA1ADORA3ADORA2APTGDR2NPC1

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-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-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
US-7473783-B2 Bicyclic pyrazolo protein kinase modulators SGX PHARMACEUTICALS, INC. (US) 2009-01-06 US disclosed
US-20050176786-A1 Bicyclic pyrazolo protein kinase modulators STRUCTURAL GENOMIX (US) 2005-08-11 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-20100179190-A1 BICYCLIC PYRAZOLO PROTEIN KINASE MODULATORS MAP3K20, MAP4K2, MAP4K3 ADORA1 3115/4885ADORA3 2528/4885ADORA2A 1670/4885
US-20050176786-A1 Bicyclic pyrazolo protein kinase modulators MAP3K20, MAP4K2, MAP4K3 ADORA1 3115/4885ADORA3 2528/4885ADORA2A 1670/4885

“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.