SCHEMBL1781037

SCHEMBL1781037

CC1=C(c2cnc(NC(=O)c3c(F)cccc3Cl)cn2)CN(c2ncc(C)s2)CC1

nearest known ligand 0.44

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
STIM1 Q13586 1/20 0.44
ORAI1 Q96D31 1/20 0.44
ORAI2 Q96SN7 1/20 0.44
IL2 P60568 4/20 0.43
L3MBTL1 Q9Y468 1/20 0.41
P2RX7 Q99572 6/20 0.41
RXFP1 Q9HBX9 1/20 0.39
RORC P51449 4/20 0.39
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38

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
SCHEMBL7916875 0.94 IL2 (0.42) STIM1ORAI1ORAI2IL2RORC
Hydrochloric Acid SCHEMBL1782663 0.93 IL2 (0.42) STIM1ORAI1ORAI2IL2MEN1
SCHEMBL1783464 0.92 STIM1 (0.47) STIM1ORAI1ORAI2IL2P2RX7
SCHEMBL3830406 0.88 STIM1 (0.44) STIM1ORAI1ORAI2IL2L3MBTL1
SCHEMBL7913649 0.87 SMN1; SMN2 (0.37) STIM1ORAI1ORAI2IL2P2RX7
Hydrochloric Acid SCHEMBL1782512 0.86 SMN1; SMN2 (0.36) STIM1ORAI1ORAI2IL2P2RX7
SCHEMBL7922380 0.84 IL2 (0.42) STIM1ORAI1ORAI2IL2P2RX7
Hydrochloric Acid SCHEMBL1782891 0.84 IL2 (0.42) STIM1ORAI1ORAI2IL2P2RX7
SCHEMBL7920820 0.82 STIM1 (0.44) STIM1ORAI1ORAI2IL2L3MBTL1
SCHEMBL3824488 0.82 IL2 (0.42) STIM1ORAI1ORAI2IL2L3MBTL1

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-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-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 (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-20130303542-A1 SUBSTITUTED PYRAZINAMIDE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES NLRP3, NLRP1, CXCL8 STIM1 1974/4885ORAI1 1558/4885ORAI2 1575/4885
US-20100125080-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCL8, CCR1, CCR8 STIM1 924/4885ORAI1 729/4885ORAI2 1267/4885
US-20120183579-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCL8, CCR1, CCR8 STIM1 924/4885ORAI1 729/4885ORAI2 1267/4885
US-20110118281-A9 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CXCL8, CCR1, CCR8 STIM1 924/4885ORAI1 729/4885ORAI2 1267/4885

“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.