SCHEMBL1781053

SCHEMBL1781053

Cn1nnc(N2CCC(C3CC3)=C(c3ccc(NC(=O)c4c(F)cccc4F)cc3)C2)n1

nearest known ligand 0.40

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CRACR2A Q9BSW2 5/20 0.40
IL2 P60568 4/20 0.39
TNF P01375 1/20 0.39
STIM1 Q13586 1/20 0.39
ORAI1 Q96D31 1/20 0.39
CHRNA7 P36544 1/20 0.38
KCNH2 Q12809 1/20 0.38
NPC1 O15118 1/20 0.37
RAB9A P51151 1/20 0.37
JAK1 P23458 2/20 0.36
JAK2 O60674 1/20 0.36
TYK2 P29597 1/20 0.36
HTT P42858 1/20 0.36
NOD2 Q9HC29 1/20 0.36
KMT2A Q03164 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
SCHEMBL5019760 0.95 IL2 (0.38) CRACR2AIL2TNFSTIM1ORAI1
SCHEMBL987243 0.88 IL2 (0.43) IL2TNFSTIM1ORAI1CHRNA7
SCHEMBL1782420 0.87 IL2 (0.41) IL2TNFSTIM1ORAI1CHRNA7
SCHEMBL5019598 0.83 IL2 (0.40) IL2TNFSTIM1ORAI1CHRNA7
SCHEMBL5019662 0.83 IL2 (0.40) CRACR2AIL2STIM1ORAI1NPC1
SCHEMBL1781986 0.83 IL2 (0.46) IL2NPC1RAB9AJAK1JAK2
SCHEMBL5019639 0.82 IL2 (0.40) IL2TNFSTIM1ORAI1CHRNA7
SCHEMBL5019740 0.81 GAA (0.42) IL2TNFSTIM1ORAI1KMT2A
SCHEMBL5019607 0.79 STIM1 (0.42) CRACR2AIL2STIM1ORAI1NPC1
SCHEMBL5019638 0.78 KMT2A (0.41) CRACR2ACHRNA7KCNH2NPC1RAB9A

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 12 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130303542-A1 SUBSTITUTED PYRAZINAMIDE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2013-11-14 US disclosed
US-20130303542-A1 SUBSTITUTED PYRAZINAMIDE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP (US) 2013-11-14 US disclosed
US-20130289071-A1 TETRAZOLYL-TETRAHYDROPYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2013-10-31 US disclosed
US-20120183579-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2012-07-19 US disclosed
US-20120183579-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2012-07-19 US disclosed
US-20110118281-A9 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. 2011-05-19 US disclosed
US-20110118281-A9 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. 2011-05-19 US disclosed
US-20110118281-A9 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. 2011-05-19 US disclosed
US-20100125080-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. 2010-05-20 US disclosed
US-20100125080-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. 2010-05-20 US disclosed
US-20100125080-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. 2010-05-20 US disclosed
WO-2010039236-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 (5 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-20130303542-A1 SUBSTITUTED PYRAZINAMIDE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES NLRP3, NLRP1, CXCL8 CRACR2A 2825/4885IL2 5/4885TNF 152/4885
US-20100125080-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCL8, CCR1, CCR8 CRACR2A 3078/4885IL2 11/4885TNF 30/4885
US-20120183579-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCL8, CCR1, CCR8 CRACR2A 3078/4885IL2 11/4885TNF 30/4885
US-20110118281-A9 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCL8, CCR1, CCR8 CRACR2A 3078/4885IL2 11/4885TNF 30/4885
US-20130289071-A1 TETRAZOLYL-TETRAHYDROPYRIDINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES TSLP, IL5, TPMT CRACR2A 3705/4885IL2 5/4885TNF 59/4885

“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.