SCHEMBL647037

SCHEMBL647037

COc1ccc2c(c1)nc(C(F)(F)F)n2-c1cnc(NC(=O)C2CC2)cn1

nearest known ligand 0.52

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 11/20 0.52
GSK3B P49841 1/20 0.44
KMT2A Q03164 1/20 0.41
TP53 P04637 2/20 0.41
NPC1 O15118 1/20 0.41
PKM P14618 1/20 0.41
RAB9A P51151 1/20 0.41
HSD17B10 Q99714 1/20 0.41
ADORA3 P0DMS8 1/20 0.41
MAPT P10636 2/20 0.40
HPGDS O60760 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
SCHEMBL646571 0.96 ABL1 (0.48) ABL1GSK3BKMT2ATP53ADORA3
SCHEMBL645418 0.96 ABL1 (0.48) ABL1GSK3BKMT2ATP53HSD17B10
SCHEMBL647015 0.95 ADORA3 (0.47) ABL1GSK3BKMT2ATP53HSD17B10
SCHEMBL647637 0.88 SMN1; SMN2 (0.44) TP53NPC1RAB9AADORA3
SCHEMBL2093412 0.87 ABL1 (0.52) ABL1GSK3BKMT2ATP53NPC1
SCHEMBL646580 0.86 DEGS1 (0.45) ABL1GSK3BKMT2ATP53NPC1
SCHEMBL8228733 0.86 ABL1 (0.37) ABL1GSK3B
SCHEMBL646895 0.85 HPGDS (0.41) TP53NPC1RAB9AMAPTHPGDS
SCHEMBL646761 0.84 ADORA3 (0.46) TP53NPC1RAB9AADORA3
SCHEMBL648016 0.84 LIPE (0.43) MAPTHPGDS

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 ABL1 3611/4885GSK3B 1615/4885KMT2A 3225/4885
US-20070249609-A1 Benzoimidazolyl-pyrazine compounds for inflammation and immune-related uses IL5, CXCR5, NLRP3 ABL1 3611/4885GSK3B 1615/4885KMT2A 3225/4885

“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.