SCHEMBL645787

SCHEMBL645787

COc1ccc2nc(C(F)(F)F)n(-c3cnc(NCc4cccnc4C)cn3)c2c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IL1B P01584 2/20 0.38
CYP1A2 P05177 5/20 0.37
CYP3A4 P08684 5/20 0.37
TSHR P16473 4/20 0.37
CYP2C19 P33261 4/20 0.37
ALOX15 P16050 3/20 0.37
PDE10A Q9Y233 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
SRPK2 P78362 1/20 0.36
SRPK1 Q96SB4 1/20 0.36
STIM1 Q13586 1/20 0.35
ORAI1 Q96D31 1/20 0.35
CYP2D6 P10635 4/20 0.35
USP2 O75604 3/20 0.35
CLK4 Q9HAZ1 2/20 0.35
HSD17B10 Q99714 2/20 0.35
LMNA P02545 1/20 0.35
PTK2 Q05397 2/20 0.34
MEN1 O00255 2/20 0.34
KMT2A Q03164 2/20 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
SCHEMBL647018 0.93 IL1B (0.38) IL1BCYP1A2CYP3A4TSHRCYP2C19
SCHEMBL647042 0.86 MAPT (0.38) CYP1A2CYP3A4TSHRCYP2C19ALOX15
SCHEMBL646781 0.83 STIM1 (0.42) TSHRSTIM1ORAI1MEN1KMT2A
SCHEMBL647141 0.82 TSHR (0.38) CYP1A2CYP3A4TSHRCYP2C19ALOX15
SCHEMBL646766 0.82 MEN1 (0.33) TSHRSTIM1ORAI1MEN1KMT2A
SCHEMBL648000 0.82 ALOX15 (0.39) IL1BALOX15PTK2MEN1KMT2A
SCHEMBL649242 0.81 RAB9A (0.38) SRPK1CLK4MEN1KMT2ANPC1
SCHEMBL646767 0.81 CYP2C19 (0.44) CYP1A2CYP3A4TSHRCYP2C19ALOX15
SCHEMBL647988 0.81 MAPT (0.38) CYP1A2CYP3A4TSHRCYP2C19ALOX15
SCHEMBL645748 0.80 MAPT (0.41) CYP1A2CYP3A4TSHRCYP2C19ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 IL1B 26/4885CYP1A2 1041/4885CYP3A4 549/4885
US-20070249609-A1 Benzoimidazolyl-pyrazine compounds for inflammation and immune-related uses IL5, CXCR5, NLRP3 IL1B 26/4885CYP1A2 1041/4885CYP3A4 549/4885

“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.