SCHEMBL13283501

SCHEMBL13283501

O=C(Nc1nc2[nH]nc(-c3ccc(CO)cc3)c2s1)c1ccccc1

nearest known ligand 0.49

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 5/20 0.49
PTGDR2 Q9Y5Y4 1/20 0.48
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
KMT2A Q03164 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
ALDH1A1 P00352 2/20 0.48
ADORA2A P29274 7/20 0.46
ADORA1 P30542 6/20 0.46
ROCK2 O75116 1/20 0.45
ROCK1 Q13464 1/20 0.45
CSNK2A2 P19784 1/20 0.44
CSNK2A1 P68400 1/20 0.44
MEN1 O00255 2/20 0.44
PKM P14618 1/20 0.44
SCD O00767 1/20 0.44
CSF1R P07333 1/20 0.43
PLTP P55058 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42

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 0.86 PTGDR2 (0.61) ADORA3PTGDR2NPC1RAB9AKMT2A
SCHEMBL13256284 0.85 F2 (0.54) ADORA3PTGDR2NPC1RAB9AKMT2A
SCHEMBL13256189 0.83 ADORA3 (0.63) ADORA3NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL3500537 0.82 PARP1 (0.54) ADORA3NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL13256175 0.81 ADORA1 (0.47) ADORA3PTGDR2NPC1RAB9AKMT2A
SCHEMBL13256172 0.81 SCD (0.57) ADORA3NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL3501254 0.80 ADORA1 (0.52) ADORA3PTGDR2NPC1RAB9AKMT2A
SCHEMBL13256306 0.79 ADORA3 (0.48) ADORA3NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL13256183 0.79 MAPK14 (0.54) ADORA3NPC1RAB9AKMT2ASMN1; SMN2
SCHEMBL13256281 0.79 ADORA3 (0.48) 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 2 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-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 2528/4885PTGDR2 1577/4885NPC1 2951/4885

“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.