SCHEMBL463661

SCHEMBL463661

Cc1nc2c3cc(OC(F)(F)F)ccc3[nH]c(=O)n2n1

nearest known ligand 0.62

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HAVCR2 Q8TDQ0 14/20 0.62
HSD17B10 Q99714 1/20 0.57
KDM4E B2RXH2 1/20 0.47
CRHBP P24387 1/20 0.47
CRHR2 Q13324 1/20 0.47
XDH P47989 1/20 0.44
DDR1 Q08345 2/20 0.43

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
SCHEMBL406076 0.85 HAVCR2 (0.72) HAVCR2HSD17B10KDM4EXDH
SCHEMBL463399 0.81 HAVCR2 (0.67) HAVCR2HSD17B10XDH
SCHEMBL404656 0.79 HAVCR2 (0.75) HAVCR2HSD17B10XDH
SCHEMBL3564437 0.78 CDK9 (0.61) HAVCR2KDM4ECRHBPCRHR2XDH
SCHEMBL404764 0.77 HAVCR2 (1.00) HAVCR2HSD17B10XDH
SCHEMBL404548 0.77 HAVCR2 (0.80) HAVCR2HSD17B10
SCHEMBL462802 0.74 HAVCR2 (0.67) HAVCR2HSD17B10XDH
SCHEMBL405538 0.74 HAVCR2 (0.63) HAVCR2HSD17B10XDH
SCHEMBL10924896 0.74 HAVCR2 (1.00) HAVCR2HSD17B10KDM4EXDH
SCHEMBL9258113 0.74 HAVCR2 (0.66) HAVCR2HSD17B10XDH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE ALCON RESEARCH, LTD (US) 2012-03-15 US disclosed
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2011-10-20 US disclosed
US-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-05-13 US disclosed
US-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE KALYPSYS, INC. (US) 2010-05-13 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 (3 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-20100120741-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 HAVCR2 84/4885HSD17B10 3443/4885KDM4E 1897/4885
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 HAVCR2 84/4885HSD17B10 3443/4885KDM4E 1897/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 HAVCR2 84/4885HSD17B10 3443/4885KDM4E 1897/4885

“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.