SCHEMBL7927414

SCHEMBL7927414

Cc1sc(-c2cnccn2)nc1-c1ccc(NC(=O)c2cccc(F)c2C)nc1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.43
KDM4E B2RXH2 1/20 0.43
NPC1 O15118 1/20 0.43
ALDH1A1 P00352 1/20 0.43
TP53 P04637 1/20 0.43
GLA P06280 1/20 0.43
GAA P10253 1/20 0.43
RAB9A P51151 1/20 0.43
HSD17B10 Q99714 1/20 0.43
WNT3A P56704 7/20 0.41
PORCN Q9H237 6/20 0.40
ABCB1 P08183 1/20 0.39
ABCC1 P33527 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
ABL1 P00519 1/20 0.38
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
HDAC4 P56524 1/20 0.38
SCN9A Q15858 1/20 0.37

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
SCHEMBL7917096 0.84 KDM4E (0.41) SMN1; SMN2KDM4ENPC1ALDH1A1TP53
SCHEMBL2851161 0.80 KMT2A (0.52) SMN1; SMN2KDM4ENPC1ALDH1A1TP53
SCHEMBL7921586 0.78 KDM4E (0.46) SMN1; SMN2KDM4ENPC1ALDH1A1TP53
SCHEMBL2316711 0.78 MEN1 (0.52) KDM4EALDH1A1ABCB1ABCC1MEN1
SCHEMBL13732271 0.76 ALDH1A1 (0.38) SMN1; SMN2KDM4ENPC1ALDH1A1TP53
SCHEMBL7923309 0.75 SMN1; SMN2 (0.43) SMN1; SMN2KDM4ENPC1ALDH1A1TP53
SCHEMBL7927410 0.75 POLB (0.43) SMN1; SMN2KDM4ENPC1ALDH1A1TP53
SCHEMBL17052590 0.74 NPC1 (0.50) SMN1; SMN2KDM4ENPC1ALDH1A1TP53
SCHEMBL7922966 0.74 NPC1 (0.41) SMN1; SMN2KDM4ENPC1ALDH1A1TP53
SCHEMBL16462941 0.73 NPC1 (0.47) SMN1; SMN2KDM4ENPC1ALDH1A1TP53

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-20140107132-A1 SUBSTITUTED PYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-04-17 US disclosed
US-20140107132-A1 SUBSTITUTED PYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-04-17 US disclosed
US-20130165451-A9 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2013-06-27 US disclosed
US-8314130-B2 Compounds inclunding substituted pyridines for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2012-11-20 US disclosed
US-8314130-B2 Compounds inclunding substituted pyridines for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2012-11-20 US disclosed
US-20120283272-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2012-11-08 US disclosed
US-20100130510-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2010-05-27 US disclosed
US-20100130510-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2010-05-27 US disclosed
WO-2010039237-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2010-04-08 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 (4 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-20100130510-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCL8, CCR1, CCR8 SMN1; SMN2 4828/4885KDM4E 2266/4885NPC1 199/4885
US-20120283272-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCL8, CCR1, CCR8 SMN1; SMN2 4828/4885KDM4E 2266/4885NPC1 199/4885
US-20130165451-A9 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCL8, CCR1, CCR8 SMN1; SMN2 4828/4885KDM4E 2266/4885NPC1 199/4885
US-20140107132-A1 SUBSTITUTED PYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES NLRP3, NLRP1, NOD1 SMN1; SMN2 4784/4885KDM4E 895/4885NPC1 640/4885

“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.