SCHEMBL3501713

SCHEMBL3501713

O=C(Nc1nc2[nH]nc(-c3ccccn3)c2s1)c1ccccc1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.60
ADORA1 P30542 2/20 0.60
ADORA3 P0DMS8 8/20 0.55
KDM4A O75164 1/20 0.55
KDM4B O94953 1/20 0.55
KDM5B Q9UGL1 1/20 0.55
F2 P00734 1/20 0.54
F12 P00748 1/20 0.54
PLAU P00749 1/20 0.54
NPC1 O15118 4/20 0.50
RAB9A P51151 4/20 0.50
KMT2A Q03164 3/20 0.50
SMN1; SMN2 Q16637 2/20 0.50
MEN1 O00255 2/20 0.50
GRM1 Q13255 1/20 0.47
PKM P14618 1/20 0.47
SCD O00767 1/20 0.46
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
ALDH1A1 P00352 2/20 0.45

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
SCHEMBL13256291 0.84 ADORA2A (0.63) ADORA2AADORA1ADORA3NPC1RAB9A
SCHEMBL13256284 0.83 F2 (0.54) ADORA2AADORA1ADORA3F2F12
SCHEMBL13256165 0.81 NPC1 (0.63) NPC1RAB9AKMT2ASMN1; SMN2MEN1
SCHEMBL3500537 0.81 PARP1 (0.54) ADORA2AADORA1ADORA3F2F12
SCHEMBL3500983 0.81 MAPT (0.61) ADORA3F2NPC1RAB9AKMT2A
SCHEMBL13256173 0.80 PTGDR2 (0.61) ADORA2AADORA1ADORA3NPC1RAB9A
SCHEMBL14454844 0.79 NPC1 (0.54) ADORA2AADORA1ADORA3NPC1RAB9A
SCHEMBL13256289 0.79 MEN1 (0.58) ADORA2AADORA1ADORA3NPC1RAB9A
SCHEMBL14454809 0.78 NPC1 (0.52) ADORA3NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL13283501 0.78 ADORA3 (0.49) ADORA2AADORA1ADORA3NPC1RAB9A

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 ADORA2A 1670/4885ADORA1 3115/4885ADORA3 2528/4885
US-20050176786-A1 Bicyclic pyrazolo protein kinase modulators MAP3K20, MAP4K2, MAP4K3 ADORA2A 1670/4885ADORA1 3115/4885ADORA3 2528/4885

“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.