SCHEMBL647883

SCHEMBL647883

COc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(NC(=O)c2cccc(Cl)c2)cn1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 5/20 0.45
RAB9A P51151 5/20 0.44
NPC1 O15118 3/20 0.44
ALDH1A1 P00352 2/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
ADORA2A P29274 1/20 0.41
SMN1; SMN2 Q16637 2/20 0.41
TP53 P04637 2/20 0.41
TDP2 O95551 1/20 0.41
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
POLB P06746 1/20 0.40
CYP1A2 P05177 1/20 0.40
CYP3A4 P08684 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C19 P33261 1/20 0.40
GAA P10253 1/20 0.40

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
SCHEMBL646832 0.93 NPC1 (0.47) GRM5RAB9ANPC1ALDH1A1MEN1
SCHEMBL648772 0.91 F10 (0.42) RAB9ANPC1ALDH1A1MEN1KMT2A
SCHEMBL647817 0.91 SCD (0.45) GRM5RAB9ANPC1ALDH1A1MEN1
SCHEMBL645425 0.91 ALOX15 (0.49) MAPTPOLBCYP1A2CYP3A4CYP2D6
SCHEMBL645402 0.91 MEN1 (0.51) RAB9ANPC1ALDH1A1MEN1KMT2A
SCHEMBL647532 0.90 NPC1 (0.41) GRM5RAB9ANPC1ALDH1A1MEN1
SCHEMBL647767 0.90 NPC1 (0.43) GRM5RAB9ANPC1ALDH1A1MEN1
SCHEMBL646580 0.89 DEGS1 (0.45) RAB9ANPC1ALDH1A1MEN1KMT2A
SCHEMBL648286 0.89 RAB9A (0.43) GRM5RAB9ANPC1ALDH1A1MEN1
SCHEMBL2094049 0.88 ALDH1A1 (0.48) GRM5RAB9ANPC1ALDH1A1MEN1

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 GRM5 594/4885RAB9A 3009/4885NPC1 852/4885
US-20070249609-A1 Benzoimidazolyl-pyrazine compounds for inflammation and immune-related uses IL5, CXCR5, NLRP3 GRM5 594/4885RAB9A 3009/4885NPC1 852/4885

“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.