SCHEMBL645672

SCHEMBL645672

COc1ccc2nc(C(F)(F)F)n(-c3cnc(NC(=O)c4snnc4C)cn3)c2c1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CRACR2A Q9BSW2 3/20 0.41
ALDH1A1 P00352 2/20 0.40
TRPC3 Q13507 1/20 0.39
ORAI1 Q96D31 1/20 0.39
TRPC5 Q9UL62 1/20 0.39
POLB P06746 2/20 0.37
LMNA P02545 1/20 0.36
MAPT P10636 1/20 0.35
GRM5 P41594 1/20 0.35
GAA P10253 3/20 0.35
MGAT2 Q10469 1/20 0.35
KDM4E B2RXH2 1/20 0.34
ACACB O00763 1/20 0.34
USP2 O75604 1/20 0.34
NPC1 O15118 1/20 0.34
MITF O75030 1/20 0.34
TP53 P04637 1/20 0.34
RAB9A P51151 1/20 0.34

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
SCHEMBL646789 0.94 CRACR2A (0.41) CRACR2AALDH1A1TRPC3ORAI1TRPC5
SCHEMBL646772 0.87 CRACR2A (0.40) CRACR2AALDH1A1TRPC3ORAI1TRPC5
SCHEMBL10151409 0.87 ALDH1A1 (0.40) CRACR2AALDH1A1TRPC3ORAI1TRPC5
SCHEMBL645712 0.86 POLB (0.41) CRACR2AALDH1A1TRPC3ORAI1TRPC5
SCHEMBL649242 0.83 RAB9A (0.38) ALDH1A1POLBMAPTGAAKDM4E
SCHEMBL646766 0.82 MEN1 (0.33) ALDH1A1ORAI1MITF
SCHEMBL646105 0.82 RAB9A (0.43) CRACR2APOLBMAPTKDM4ENPC1
SCHEMBL646780 0.82 TP53 (0.38) ORAI1POLBLMNAMAPTGRM5
SCHEMBL646580 0.80 DEGS1 (0.45) ALDH1A1POLBMAPTGAANPC1
SCHEMBL646906 0.79 HPGDS (0.40) GRM5GAANPC1MITFTP53

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8119643-B2 Benzoimidazolyl-pyrazine compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2012-02-21 US claimed
US-20120190853-A1 BENZOIMIDAZOLYL-PYRAZINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2012-07-26 US disclosed
US-20120190853-A1 BENZOIMIDAZOLYL-PYRAZINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2012-07-26 US disclosed
US-8119643-B2 Benzoimidazolyl-pyrazine compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2012-02-21 US disclosed
US-8119643-B2 Benzoimidazolyl-pyrazine compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2012-02-21 US disclosed
US-20070249609-A1 Benzoimidazolyl-pyrazine compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. 2007-10-25 US disclosed
US-20070249609-A1 Benzoimidazolyl-pyrazine compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. 2007-10-25 US 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 (2 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-20120190853-A1 BENZOIMIDAZOLYL-PYRAZINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES IL5, CXCR5, NLRP3 CRACR2A 4039/4885ALDH1A1 3637/4885TRPC3 468/4885
US-20070249609-A1 Benzoimidazolyl-pyrazine compounds for inflammation and immune-related uses IL5, CXCR5, NLRP3 CRACR2A 4039/4885ALDH1A1 3637/4885TRPC3 468/4885

“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.