SCHEMBL7924775

SCHEMBL7924775

Cc1sc(-c2cncn2CCN(C)C)cc1-c1ccc(NC(=O)c2c(F)cccc2F)cc1

nearest known ligand 0.42

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
IL2 P60568 12/20 0.42
TNF P01375 1/20 0.42
STIM1 Q13586 1/20 0.42
ORAI1 Q96D31 1/20 0.42
JAK2 O60674 1/20 0.38
JAK1 P23458 1/20 0.38
TYK2 P29597 1/20 0.38
HTT P42858 1/20 0.38
NOD2 Q9HC29 1/20 0.38
MET P08581 1/20 0.37
LMNA P02545 1/20 0.36
MEN1 O00255 2/20 0.36
KMT2A Q03164 2/20 0.36
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ATM Q13315 1/20 0.35

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
SCHEMBL2895265 0.89 IL2 (0.47) IL2TNFSTIM1ORAI1JAK2
SCHEMBL2889496 0.86 IL2 (0.47) IL2TNFSTIM1ORAI1JAK2
Hydrochloric Acid SCHEMBL2894126 0.85 IL2 (0.47) IL2TNFSTIM1ORAI1JAK2
SCHEMBL2894859 0.76 LMNA (0.55) IL2TNFSTIM1ORAI1JAK2
SCHEMBL2892357 0.76 GSK3B (0.49) IL2MET
SCHEMBL2889160 0.75 JAK2 (0.50) IL2TNFSTIM1ORAI1JAK2
SCHEMBL13321604 0.74 IL2 (0.50) IL2TNFSTIM1ORAI1JAK2
SCHEMBL5033771 0.74 IL2 (0.56) IL2TNFSTIM1ORAI1JAK2
SCHEMBL2889962 0.74 IL2 (0.46) IL2TNFSTIM1ORAI1JAK2
SCHEMBL2891873 0.73 IL2 (0.45) IL2TNFSTIM1ORAI1JAK2

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 IL2 11/4885TNF 30/4885STIM1 924/4885
US-20120283272-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCL8, CCR1, CCR8 IL2 11/4885TNF 30/4885STIM1 924/4885
US-20130165451-A9 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCL8, CCR1, CCR8 IL2 11/4885TNF 30/4885STIM1 924/4885
US-20140107132-A1 SUBSTITUTED PYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES NLRP3, NLRP1, NOD1 IL2 23/4885TNF 107/4885STIM1 934/4885

“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.