SCHEMBL13256296

SCHEMBL13256296

O=C(Nc1nc2[nH]nc(-c3ccccc3)c2s1)c1ccco1

nearest known ligand 0.66

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.66
NPC1 O15118 3/20 0.66
RAB9A P51151 3/20 0.66
MEN1 O00255 3/20 0.66
KMT2A Q03164 3/20 0.66
MAPT P10636 2/20 0.66
NFKB1 P19838 1/20 0.66
NFKB2 Q00653 1/20 0.66
RELA Q04206 1/20 0.66
SMN1; SMN2 Q16637 1/20 0.66
ADORA2A P29274 14/20 0.62
ADORA1 P30542 12/20 0.62
ADORA3 P0DMS8 8/20 0.62
ADORA2B P29275 3/20 0.61
GAA P10253 1/20 0.58
PKM P14618 1/20 0.58
APOBEC3G Q9HC16 1/20 0.58
KDM4E B2RXH2 2/20 0.57
ALDH1A1 P00352 1/20 0.57
HSD17B10 Q99714 1/20 0.57

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
SCHEMBL13256168 0.84 PKM (0.54) HPGDNPC1RAB9AMEN1KMT2A
SCHEMBL13256291 0.84 ADORA2A (0.63) HPGDNPC1RAB9AMEN1KMT2A
SCHEMBL13256286 0.83 HDAC1 (0.46) HPGDNPC1RAB9AMEN1KMT2A
SCHEMBL13256182 0.81 ADORA3 (0.46) HPGDNPC1RAB9AMEN1KMT2A
SCHEMBL4398346 0.80 ADORA2A (0.89) HPGDNPC1RAB9AMEN1KMT2A
SCHEMBL13256289 0.79 MEN1 (0.58) HPGDNPC1RAB9AMEN1KMT2A
SCHEMBL13256166 0.79 ALDH1A1 (0.53) NPC1RAB9AMEN1KMT2AMAPT
SCHEMBL3500537 0.79 PARP1 (0.54) NPC1RAB9AKMT2ASMN1; SMN2ADORA2A
SCHEMBL13256304 0.78 RAB9A (0.65) HPGDNPC1RAB9AMEN1KMT2A
SCHEMBL13256284 0.76 F2 (0.54) NPC1RAB9AMEN1KMT2ASMN1; 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 HPGD 2895/4885NPC1 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.