SCHEMBL645379

SCHEMBL645379

CCOc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(NC(=O)c2ccncc2F)cn1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CRACR2A Q9BSW2 3/20 0.38
IL2 P60568 1/20 0.38
STIM1 Q13586 2/20 0.36
ORAI1 Q96D31 2/20 0.36
TRPC1 P48995 1/20 0.36
TRPC3 Q13507 1/20 0.36
EPHX2 P34913 1/20 0.36
RXRA P19793 3/20 0.36
PPARG P37231 1/20 0.36
NR1H3 Q13133 1/20 0.36
ACSS2 Q9NR19 1/20 0.35
RAB9A P51151 3/20 0.35
NPC1 O15118 2/20 0.35
KDM4E B2RXH2 2/20 0.35
TP53 P04637 1/20 0.35
GLA P06280 1/20 0.35
TNKS2 Q9H2K2 1/20 0.34
DGAT1 O75907 2/20 0.34
SMN1; SMN2 Q16637 2/20 0.34
MAPT P10636 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
SCHEMBL646756 0.92 EPHX2 (0.36) EPHX2RXRAPPARGNR1H3ACSS2
SCHEMBL645920 0.92 ORAI1 (0.45) CRACR2AIL2STIM1ORAI1TRPC1
SCHEMBL646791 0.90 NPC1 (0.40) RXRAPPARGNR1H3ACSS2RAB9A
SCHEMBL647758 0.89 CHRNA7 (0.36) RXRAPPARGNR1H3ACSS2MAPT
SCHEMBL646066 0.89 ACSS2 (0.37) IL2STIM1ORAI1EPHX2RXRA
SCHEMBL646478 0.88 ALDH1A1 (0.38) RXRAPPARGNR1H3ACSS2RAB9A
SCHEMBL647840 0.88 CHRNA7 (0.39) IL2RXRAPPARGNR1H3ACSS2
SCHEMBL5131167 0.87 CRACR2A (0.38) CRACR2ARXRAPPARGNR1H3ACSS2
SCHEMBL647852 0.86 CRACR2A (0.38) CRACR2AIL2STIM1ORAI1TRPC1
SCHEMBL648215 0.86 MEN1 (0.40) IL2RXRAPPARGNR1H3ACSS2

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-8119643-B2 Benzoimidazolyl-pyrazine compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2012-02-21 US claimed
US-8614321-B2 Benzoimidazolyl-pyrazine compounds for inflammation and immune-related uses SYNTA PHARMACEUTICALS CORP. (US) 2013-12-24 US disclosed
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-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-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
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 4039/4885IL2 44/4885STIM1 1728/4885
US-20070249609-A1 Benzoimidazolyl-pyrazine compounds for inflammation and immune-related uses IL5, CXCR5, NLRP3 CRACR2A 4039/4885IL2 44/4885STIM1 1728/4885

“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.