SCHEMBL462802

SCHEMBL462802

Cc1nc2c3ccc(C(F)(F)F)cc3[nH]c(=O)n2n1

nearest known ligand 0.67

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
HAVCR2 Q8TDQ0 15/20 0.67
HSD17B10 Q99714 1/20 0.61
CA12 O43570 1/20 0.51
CA9 Q16790 1/20 0.51
MAPT P10636 1/20 0.50
XDH P47989 1/20 0.47
PDE10A Q9Y233 1/20 0.47

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
SCHEMBL463399 0.90 HAVCR2 (0.67) HAVCR2HSD17B10XDH
SCHEMBL405740 0.83 HAVCR2 (0.71) HAVCR2HSD17B10XDH
SCHEMBL404765 0.82 HAVCR2 (0.75) HAVCR2HSD17B10XDH
SCHEMBL11085153 0.80 ADORA3 (0.50)
SCHEMBL31167546 0.80 HAVCR2 (0.80) HAVCR2HSD17B10XDH
SCHEMBL405565 0.80 HAVCR2 (1.00) HAVCR2HSD17B10
SCHEMBL11173744 0.79 JAK2 (0.44) HAVCR2HSD17B10CA12CA9MAPT
SCHEMBL8375789 0.79 CA12 (0.48) HAVCR2HSD17B10CA12CA9MAPT
SCHEMBL22987425 0.79 KDM4E (0.68) HAVCR2HSD17B10CA12CA9XDH
SCHEMBL463665 0.79 HAVCR2 (0.55) 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 3443/4885CA12 1302/4885
US-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 HAVCR2 84/4885HSD17B10 3443/4885CA12 1302/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 HAVCR2 84/4885HSD17B10 3443/4885CA12 1302/4885

“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.