SCHEMBL2847563

SCHEMBL2847563

Cc1ccc(Oc2ccccn2)cc1-c1cnc(NC(=O)c2c(F)cccc2F)cn1

nearest known ligand 0.55

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IL2 P60568 16/20 0.55
STIM1 Q13586 1/20 0.51
ORAI1 Q96D31 1/20 0.51
ORAI2 Q96SN7 1/20 0.51
GCK P35557 1/20 0.40
PTGS2 P35354 1/20 0.39
NPC1 O15118 1/20 0.39
CYP1A2 P05177 1/20 0.39
RAB9A P51151 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
SCHEMBL2308590 0.89 IL2 (0.57) IL2STIM1ORAI1ORAI2GCK
SCHEMBL2358078 0.89 STIM1 (0.53) IL2STIM1ORAI1ORAI2GCK
SCHEMBL2309561 0.88 IL2 (0.56) IL2
SCHEMBL13321942 0.87 NTRK1 (0.44) IL2STIM1ORAI1ORAI2GCK
SCHEMBL2309804 0.85 IL2 (0.55) IL2STIM1ORAI1ORAI2NPC1
SCHEMBL15395771 0.81 IL2 (0.65) IL2STIM1ORAI1ORAI2NPC1
SCHEMBL7932421 0.79 IL2 (0.63) IL2STIM1ORAI1ORAI2
SCHEMBL7927446 0.79 IL2 (0.63) IL2STIM1ORAI1ORAI2
SCHEMBL5554240 0.79 IL2 (0.62) IL2STIM1ORAI1ORAI2NPC1
SCHEMBL2310880 0.79 IL2 (0.44) IL2STIM1ORAI1ORAI2GCK

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-20140045861-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-02-13 US claimed
US-20120196838-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2012-08-02 US claimed
US-20100130522-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2010-05-27 US claimed
US-20140045861-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-02-13 US disclosed
US-20140045861-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2014-02-13 US disclosed
US-20120196838-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2012-08-02 US disclosed
US-20120196838-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2012-08-02 US disclosed
US-20100130522-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2010-05-27 US disclosed
US-20100130522-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2010-05-27 US disclosed
US-20100130522-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2010-05-27 US disclosed
WO-2010039238-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 (3 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-20120196838-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CCR1, CXCL8, CCR9 IL2 7/4885STIM1 1054/4885ORAI1 962/4885
US-20100130522-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CCR1, CXCL8, CCR9 IL2 7/4885STIM1 1054/4885ORAI1 962/4885
US-20140045861-A1 COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES CCR1, CXCL8, CCR9 IL2 7/4885STIM1 1054/4885ORAI1 962/4885

“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.