SCHEMBL3501856

SCHEMBL3501856

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

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 8/20 0.68
HSD17B10 Q99714 4/20 0.68
MAPK1 P28482 1/20 0.68
TSHR P16473 2/20 0.65
HPGD P15428 2/20 0.65
NPC1 O15118 4/20 0.54
RAB9A P51151 4/20 0.54
CASP3 P42574 1/20 0.54
SENP7 Q9BQF6 1/20 0.54
CYP2C19 P33261 2/20 0.49
LMNA P02545 2/20 0.48
ALOX5 P09917 1/20 0.47
SMN1; SMN2 Q16637 3/20 0.46
TP53 P04637 2/20 0.46
CSNK2A2 P19784 1/20 0.46
CSNK2A1 P68400 1/20 0.46
MAPT P10636 4/20 0.45
CYP1A2 P05177 1/20 0.44
CYP2C9 P11712 1/20 0.44
HTT P42858 1/20 0.44

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
SCHEMBL3500955 0.90 ALDH1A1 (0.56) ALDH1A1HSD17B10MAPK1TSHRHPGD
SCHEMBL13256166 0.83 ALDH1A1 (0.53) ALDH1A1HSD17B10MAPK1NPC1RAB9A
SCHEMBL13256299 0.79 SMN1; SMN2 (0.60) ALDH1A1HSD17B10MAPK1HPGDNPC1
SCHEMBL13256180 0.79 XIAP (0.51) ALDH1A1HSD17B10MAPK1TSHRHPGD
SCHEMBL13256189 0.77 ADORA3 (0.63) ALDH1A1NPC1RAB9ACYP2C19LMNA
SCHEMBL13256174 0.77 XIAP (0.46) ALDH1A1HSD17B10MAPK1TSHRHPGD
SCHEMBL3500537 0.76 PARP1 (0.54) ALDH1A1HSD17B10NPC1RAB9ALMNA
SCHEMBL13256304 0.75 RAB9A (0.65) ALDH1A1HSD17B10MAPK1TSHRHPGD
SCHEMBL13256179 0.74 RAB9A (0.50) ALDH1A1HSD17B10MAPK1TSHRHPGD
SCHEMBL13256172 0.74 SCD (0.57) ALDH1A1HPGDNPC1RAB9ACASP3

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 9 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
EP-1713814-A1 BICYCLIC PYRAZOLO-FUSED COMPOUNDS AS PROTEIN KINASE MODULATORS SGX Pharmaceuticals, Inc. (US) 2006-10-25 EP disclosed
US-20050176786-A1 Bicyclic pyrazolo protein kinase modulators STRUCTURAL GENOMIX (US) 2005-08-11 US disclosed
WO-2005068473-A1 BICYCLIC PYRAZOLO-FUSED COMPOUNDS AS PROTEIN KINASE MODULATORS SGX PHARMACEUTICALS, INC. (US) 2005-07-28 WO 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 ALDH1A1 4737/4885HSD17B10 3834/4885MAPK1 158/4885
US-20050176786-A1 Bicyclic pyrazolo protein kinase modulators MAP3K20, MAP4K2, MAP4K3 ALDH1A1 4737/4885HSD17B10 3834/4885MAPK1 158/4885

“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.