SCHEMBL646984

SCHEMBL646984

COc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(NC(=O)c2ccc(C(C)(C)C)cc2)cn1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.43
MAPT P10636 2/20 0.43
NPC1 O15118 1/20 0.43
NFKB1 P19838 1/20 0.43
RAB9A P51151 1/20 0.43
NFKB2 Q00653 1/20 0.43
RELA Q04206 1/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
DEGS1 O15121 3/20 0.41
HPGDS O60760 3/20 0.40
ALDH1A1 P00352 1/20 0.40
GAA P10253 1/20 0.40
LIPE Q05469 1/20 0.39
SUV39H1 O43463 1/20 0.38
EHMT2 Q96KQ7 1/20 0.38
PRMT1 Q99873 1/20 0.38
PPARG P37231 1/20 0.38
PPARD Q03181 1/20 0.38
GPBAR1 Q8TDU6 1/20 0.38
NR1H4 Q96RI1 1/20 0.38

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
SCHEMBL648016 0.95 LIPE (0.43) MAPTDEGS1HPGDSALDH1A1GAA
SCHEMBL646580 0.95 DEGS1 (0.45) TP53MAPTNPC1NFKB1RAB9A
SCHEMBL646827 0.92 MAPT (0.41) TP53MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL8234419 0.92 DEGS1 (0.47) MAPTDEGS1HPGDSALDH1A1GAA
SCHEMBL645596 0.92 MEN1 (0.44) NPC1RAB9ASMN1; SMN2DEGS1HPGDS
SCHEMBL648772 0.92 F10 (0.42) TP53MAPTNPC1NFKB1RAB9A
SCHEMBL10151367 0.91 DEGS1 (0.40) TP53NPC1NFKB1RAB9ANFKB2
SCHEMBL649267 0.91 DEGS1 (0.40) TP53MAPTNPC1NFKB1RAB9A
SCHEMBL648071 0.90 MAPT (0.44) TP53MAPTNPC1RAB9ASMN1; SMN2
SCHEMBL646895 0.90 HPGDS (0.41) TP53MAPTNPC1RAB9ASMN1; SMN2

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 TP53 757/4885MAPT 2658/4885NPC1 852/4885
US-20070249609-A1 Benzoimidazolyl-pyrazine compounds for inflammation and immune-related uses IL5, CXCR5, NLRP3 TP53 757/4885MAPT 2658/4885NPC1 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.