SCHEMBL647110

SCHEMBL647110

COc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(NCC2CCCC2)cn1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 1/20 0.40
GALR1 P47211 1/20 0.37
RAF1 P04049 1/20 0.37
BRAF P15056 1/20 0.37
MAPK10 P53779 3/20 0.37
BRD4 O60885 2/20 0.36
JAK1 P23458 3/20 0.36
JAK2 O60674 2/20 0.36
JAK3 P52333 2/20 0.36
CCNE1 P24864 1/20 0.36
CDK2 P24941 1/20 0.36
TYK2 P29597 1/20 0.36
AURKB Q96GD4 1/20 0.36
FYN P06241 1/20 0.35
PTGS2 P35354 1/20 0.35
IRAK4 Q9NWZ3 1/20 0.35
AOC3 Q16853 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35

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
SCHEMBL645421 0.99 PIK3CA (0.39) PIK3CAGALR1RAF1BRAFMAPK10
SCHEMBL647896 0.98 PIK3CA (0.38) PIK3CAGALR1RAF1BRAFMAPK10
SCHEMBL646879 0.96 FYN (0.38) PIK3CAMAPK10BRD4JAK1JAK2
SCHEMBL8228712 0.87 MEN1 (0.39) RAF1BRAFJAK1JAK2AURKB
SCHEMBL645924 0.84 ALDH1A1 (0.39) BRD4FYNMEN1ALDH1A1HPGD
SCHEMBL647757 0.83 MAPT (0.43) PTGS2ALDH1A1KMT2A
SCHEMBL649499 0.83 RXRA (0.40) BRD4MEN1ALDH1A1HPGDTSHR
SCHEMBL645418 0.83 ABL1 (0.48) PIK3CAMEN1ALDH1A1HTTKMT2A
SCHEMBL5434569 0.82 RXRA (0.41) BRD4MEN1ALDH1A1KMT2ACACNA1D
SCHEMBL647015 0.82 ADORA3 (0.47) PIK3CAMEN1ALDH1A1HTTKMT2A

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 10 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-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 PIK3CA 2294/4885GALR1 2143/4885RAF1 1355/4885
US-20070249609-A1 Benzoimidazolyl-pyrazine compounds for inflammation and immune-related uses IL5, CXCR5, NLRP3 PIK3CA 2294/4885GALR1 2143/4885RAF1 1355/4885

“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.