SCHEMBL13321615

SCHEMBL13321615

CC(C)c1sc(Br)nc1-c1ccc(NC(=O)c2ccc(F)cc2F)nc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 1/20 0.44
▸ ABL1 P00519 1/20 0.41
▸ PIK3C3 Q8NEB9 3/20 0.41
▸ CSNK1D P48730 1/20 0.40
▸ CSNK1E P49674 1/20 0.40
▸ NPC1 O15118 4/20 0.40
▸ RAB9A P51151 4/20 0.40
▸ KDM4E B2RXH2 3/20 0.40
▸ ALDH1A1 P00352 2/20 0.40
▸ MAPK1 P28482 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ TP53 P04637 1/20 0.40
▸ GLA P06280 1/20 0.40
▸ GAA P10253 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.40
▸ HSD17B10 Q99714 1/20 0.40
▸ HTR1F P30939 1/20 0.40
▸ DGAT1 O75907 1/20 0.40
▸ GRM5 P41594 2/20 0.39
▸ USP2 O75604 1/20 0.39

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
SCHEMBL7918498 0.90 NTRK1 (0.45) ABCB1ABL1PIK3C3NPC1RAB9A
SCHEMBL7918495 0.89 ABCB1 (0.43) ABCB1ABL1PIK3C3NPC1RAB9A
SCHEMBL2849853 0.84 GPR55 (0.44) ABCB1CSNK1DCSNK1EMAPK1HTR1F
SCHEMBL7933347 0.84 ABCB1 (0.51) ABCB1CSNK1DCSNK1EGAAGRM5
SCHEMBL6909946 0.72 HTR2A (0.39) CSNK1DALDH1A1
SCHEMBL7921544 0.72 MEN1 (0.56) ABL1NPC1RAB9AKDM4EALDH1A1
SCHEMBL13321619 0.72 KDM4E (0.45) ABCB1NPC1RAB9AKDM4EALDH1A1
SCHEMBL13640667 0.71 KDM4E (0.52) ABCB1NPC1RAB9AKDM4EALDH1A1
SCHEMBL3851843 0.71 NPC1 (0.57) CSNK1DCSNK1ENPC1RAB9AKDM4E
SCHEMBL15205496 0.71 SNCA (0.46) ABCB1NPC1RAB9AKDM4EALDH1A1

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 8 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-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-20120283272-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2012-11-08 — — 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

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 ABCB1 574/4885ABL1 4202/4885PIK3C3 3436/4885
US-20120283272-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCL8, CCR1, CCR8 ABCB1 574/4885ABL1 4202/4885PIK3C3 3436/4885
US-20130165451-A9 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCL8, CCR1, CCR8 ABCB1 574/4885ABL1 4202/4885PIK3C3 3436/4885
US-20140107132-A1 SUBSTITUTED PYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES NLRP3, NLRP1, NOD1 ABCB1 339/4885ABL1 1971/4885PIK3C3 3099/4885

“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.

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