SCHEMBL405808

SCHEMBL405808

Cc1ccc2[nH]c(=O)n3nc(C(F)(F)F)nc3c2c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HAVCR2 Q8TDQ0 7/20 0.53
TP53 P04637 1/20 0.48
SMN1; SMN2 Q16637 1/20 0.48
RXFP1 Q9HBX9 1/20 0.48
HSD17B10 Q99714 1/20 0.48
KDM4E B2RXH2 1/20 0.47
GABRA1 P14867 1/20 0.46
GABRG2 P18507 1/20 0.46
GABRB3 P28472 1/20 0.46
GABRA3 P34903 1/20 0.46
GABRA2 P47869 1/20 0.46
KIF11 P52732 1/20 0.43
JAK2 O60674 1/20 0.43
PAK4 O96013 1/20 0.43
NTRK1 P04629 1/20 0.43
LCK P06239 1/20 0.43
FYN P06241 1/20 0.43
CSF1R P07333 1/20 0.43
RET P07949 1/20 0.43
MET P08581 1/20 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
SCHEMBL439473 0.86 HAVCR2 (0.48) HAVCR2HSD17B10KDM4EGABRA1GABRG2
SCHEMBL404656 0.82 HAVCR2 (0.75) HAVCR2TP53SMN1; SMN2RXFP1HSD17B10
SCHEMBL30394128 0.81 HAVCR2 (0.63) HAVCR2TP53SMN1; SMN2RXFP1HSD17B10
SCHEMBL11081150 0.77 HAVCR2 (0.53) HAVCR2TP53SMN1; SMN2RXFP1HSD17B10
SCHEMBL11083808 0.77 JAK2 (0.55) HAVCR2TP53SMN1; SMN2RXFP1HSD17B10
SCHEMBL463399 0.77 HAVCR2 (0.67) HAVCR2HSD17B10KIF11
SCHEMBL11177571 0.74 HAVCR2 (0.50) HAVCR2TP53SMN1; SMN2RXFP1HSD17B10
SCHEMBL22987928 0.72 TP53 (0.58) HAVCR2TP53SMN1; SMN2RXFP1HSD17B10
SCHEMBL11092264 0.72 TP53 (0.52) HAVCR2TP53SMN1; SMN2RXFP1HSD17B10
SCHEMBL22987493 0.72 KDM4E (0.73) HAVCR2TP53SMN1; SMN2RXFP1HSD17B10

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 2 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

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-20120065187-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 HAVCR2 84/4885TP53 3565/4885SMN1; SMN2 4774/4885
US-20110257137-A1 HETEROCYCLIC INHIBITORS OF HISTAMINE RECEPTORS FOR THE TREATMENT OF DISEASE HRH4, HRH3, HRH2 HAVCR2 84/4885TP53 3565/4885SMN1; SMN2 4774/4885

“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.