SCHEMBL7917088

SCHEMBL7917088

CC(C)c1sc(-c2cccnc2)nc1-c1ccc(NC(=O)c2c(F)cccc2F)nc1

nearest known ligand 0.45

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ ABCB1 P08183 2/20 0.45
▸ ABCC1 P33527 2/20 0.45
▸ ATM Q13315 1/20 0.44
▸ LMNA P02545 2/20 0.44
▸ CYP1A2 P05177 3/20 0.44
▸ CYP3A4 P08684 3/20 0.44
▸ CYP2C19 P33261 2/20 0.44
▸ GPR55 Q9Y2T6 3/20 0.41
▸ DEGS1 O15121 1/20 0.41
▸ MEN1 O00255 3/20 0.41
▸ KMT2A Q03164 3/20 0.41
▸ IL2 P60568 1/20 0.41
▸ PTGS2 P35354 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ ALDH1A1 P00352 1/20 0.40

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
SCHEMBL2316711 0.89 MEN1 (0.52) ABCB1ABCC1ATMLMNACYP1A2
SCHEMBL7933347 0.88 ABCB1 (0.51) ABCB1ABCC1LMNACYP1A2CYP3A4
SCHEMBL2314051 0.84 ABCB1 (0.46) ABCB1ABCC1ATMLMNAGPR55
SCHEMBL7924145 0.76 ABCB1 (0.46) ABCB1ABCC1ATMLMNACYP1A2
SCHEMBL7921586 0.76 KDM4E (0.46) ABCB1ABCC1LMNACYP1A2CYP3A4
SCHEMBL7922970 0.76 MEN1 (0.57) ATMLMNACYP1A2CYP3A4CYP2C19
SCHEMBL7929699 0.75 IL2 (0.50) LMNAIL2
SCHEMBL2314656 0.75 ABCB1 (0.46) ABCB1ABCC1ATMLMNAGPR55
SCHEMBL449982 0.75 IL2 (0.63) ABCB1ABCC1LMNADEGS1IL2
SCHEMBL2311767 0.74 IL2 (0.47) ABCB1ABCC1LMNACYP1A2CYP3A4

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 11 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-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
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 ABCB1 574/4885ABCC1 473/4885ATM 2333/4885
US-20120283272-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCL8, CCR1, CCR8 ABCB1 574/4885ABCC1 473/4885ATM 2333/4885
US-20130165451-A9 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCL8, CCR1, CCR8 ABCB1 574/4885ABCC1 473/4885ATM 2333/4885
US-20140107132-A1 SUBSTITUTED PYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES NLRP3, NLRP1, NOD1 ABCB1 339/4885ABCC1 510/4885ATM 1645/4885

“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.

Send feedback