SCHEMBL648285

SCHEMBL648285

COc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(NC(=O)c2ccccc2OC)cn1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 5/20 0.46
MEN1 O00255 3/20 0.46
RAB9A P51151 9/20 0.46
POLB P06746 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
NPC1 O15118 8/20 0.45
TP53 P04637 3/20 0.45
GAA P10253 2/20 0.45
MITF O75030 1/20 0.45
NCS1 P62166 1/20 0.44
RXFP1 Q9HBX9 3/20 0.43
ABL1 P00519 1/20 0.43
SMN1; SMN2 Q16637 2/20 0.42
KLF5 Q13887 1/20 0.40
HSD17B10 Q99714 3/20 0.40
KDM4E B2RXH2 2/20 0.40
LMNA P02545 2/20 0.40
MAPT P10636 2/20 0.40
HPGD P15428 2/20 0.40
MAP3K5 Q99683 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
SCHEMBL647884 0.93 MAPT (0.48) KMT2AMEN1RAB9APOLBTDP1
SCHEMBL649492 0.93 NPC1 (0.51) KMT2AMEN1RAB9APOLBNPC1
SCHEMBL647662 0.93 RAB9A (0.46) KMT2AMEN1RAB9APOLBTDP1
SCHEMBL645875 0.91 ALDH1A1 (0.42) KMT2ARAB9APOLBTDP1NPC1
SCHEMBL646333 0.91 NPC1 (0.46) KMT2AMEN1RAB9ATDP1NPC1
SCHEMBL648291 0.91 PTGES (0.42) ABL1USP2
SCHEMBL645446 0.91 ABCB1 (0.44) KMT2AMEN1RAB9ANPC1TP53
SCHEMBL645442 0.91 MEN1 (0.41) KMT2AMEN1RAB9ANPC1TP53
SCHEMBL647460 0.91 NPC1 (0.42) KMT2AMEN1RAB9ANPC1TP53
SCHEMBL10151722 0.90 OPRL1 (0.37) KMT2AMEN1RAB9APOLBTDP1

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-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
EP-2001476-A2 BENZOIMIDAZOLYL-PARAZINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES Synta Pharmaceuticals Corporation (US) 2008-12-17 EP 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
WO-2007109362-A2 BENZOIMIDAZOLYL-PARAZINE COMPOUNDS FOR INFLAMMATION AND IMMUNE-RELATED USES SYNTA PHARMACEUTICALS CORP. (US) 2007-09-27 WO 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 KMT2A 3225/4885MEN1 4248/4885RAB9A 3009/4885
US-20070249609-A1 Benzoimidazolyl-pyrazine compounds for inflammation and immune-related uses IL5, CXCR5, NLRP3 KMT2A 3225/4885MEN1 4248/4885RAB9A 3009/4885

“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.