SCHEMBL648256

SCHEMBL648256

COc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(NC(=O)c2cc(C)ccc2C)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.42
NPC1 O15118 3/20 0.42
MITF O75030 1/20 0.42
TP53 P04637 1/20 0.42
GAA P10253 1/20 0.42
BTK Q06187 2/20 0.38
LCK P06239 1/20 0.38
KMT2A Q03164 1/20 0.38
RXFP1 Q9HBX9 1/20 0.38
RXRA P19793 1/20 0.37
POLB P06746 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HCRTR1 O43613 1/20 0.36
MAPK3 P27361 1/20 0.36
ABL1 P00519 2/20 0.35
HPGDS O60760 2/20 0.35
GRM5 P41594 1/20 0.35
CASP3 P42574 1/20 0.35
SENP8 Q96LD8 1/20 0.35
SENP7 Q9BQF6 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
SCHEMBL649511 0.93 RAB9A (0.44) RAB9ANPC1MITFTP53GAA
SCHEMBL645875 0.91 ALDH1A1 (0.42) RAB9ANPC1MITFTP53GAA
SCHEMBL8234095 0.89 NPC1 (0.55) RAB9ANPC1MITFTP53GAA
SCHEMBL13838317 0.89 NPC1 (0.38) RAB9ANPC1MITFTP53GAA
SCHEMBL646293 0.89 KMT2A (0.45) RAB9ANPC1GAAKMT2ARXRA
SCHEMBL646827 0.89 MAPT (0.41) RAB9ANPC1MITFTP53GAA
SCHEMBL8234426 0.89 RAB9A (0.45) RAB9ANPC1MITFTP53GAA
SCHEMBL649504 0.87 ALDH1A1 (0.41) RAB9ANPC1MITFTP53GAA
SCHEMBL647969 0.87 NPC1 (0.38) RAB9ANPC1MITFTP53GAA
SCHEMBL648285 0.87 KMT2A (0.46) RAB9ANPC1MITFTP53GAA

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 RAB9A 3009/4885NPC1 852/4885MITF 327/4885
US-20070249609-A1 Benzoimidazolyl-pyrazine compounds for inflammation and immune-related uses IL5, CXCR5, NLRP3 RAB9A 3009/4885NPC1 852/4885MITF 327/4885

“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.