SCHEMBL8103595

SCHEMBL8103595

FC(F)(F)Oc1ccc(-c2cncnc2)cc1

nearest known ligand 0.54

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 11/20 0.54
CHRM5 P08912 1/20 0.50
SCN5A Q14524 4/20 0.49
PRMT6 Q96LA8 1/20 0.47
NPY5R Q15761 1/20 0.47
ATM Q13315 1/20 0.45
KIF11 P52732 1/20 0.45

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
SCHEMBL29376300 0.80 ABL1 (0.43) ABL1SCN5A
SCHEMBL8103834 0.79 NPY5R (0.65) ABL1CHRM5SCN5ANPY5RKIF11
SCHEMBL8111753 0.79 KIF11 (0.56) ABL1CHRM5SCN5ANPY5RKIF11
SCHEMBL23302186 0.78 ABL1 (0.40) ABL1CHRM5SCN5A
SCHEMBL10059520 0.78 CHRM5 (0.44) ABL1CHRM5SCN5A
SCHEMBL1333400 0.77 ABL1 (0.53) ABL1SCN5AKIF11
SCHEMBL1230049 0.77 SCN5A (0.48) SCN5ANPY5RKIF11
SCHEMBL16215338 0.77 GABBR2 (0.49) SCN5AKIF11
SCHEMBL1230338 0.77 CYP11B1 (0.53) ABL1SCN5APRMT6NPY5R
SCHEMBL1202876 0.77 PRMT6 (0.42) SCN5APRMT6NPY5RKIF11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-105524058-B Pyrazolo [1,5 a] pyridine compounds and their and its application 广州艾格生物科技有限公司 2018-03-27 CN disclosed
US-9169216-B2 Method for preparation of 5-substituted pyrimidines REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2015-10-27 US disclosed
US-20140121375-A1 METHOD FOR PREPARATION OF 5-SUBSTITUTED PYRIMIDINES REGENTS OF THE UNIVERSITY OF MINNESOTA (US) 2014-05-01 US disclosed
EP-1019410-A1 SPIRO-PIPERIDINE DERIVATIVES AND THEIR USE AS TACHYKININ ANTAGONISTS MERCK SHARP & DOHME LTD. (GB) 2000-07-19 EP disclosed
US-6060469-A Spiro-piperidine derivatives and their use as tachykinin antagonists MERCK SHARP & DOHME LTD. (GB) 2000-05-09 US disclosed
WO-1997019084-A1 SPIRO-PIPERIDINE DERIVATIVES AND THEIR USE AS TACHYKININ ANTAGONISTS MERCK SHARP & DOHME LIMITED (GB) 1997-05-29 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 (1 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-20140121375-A1 METHOD FOR PREPARATION OF 5-SUBSTITUTED PYRIMIDINES DPYD, TYMP, DUT ABL1 748/4885CHRM5 316/4885SCN5A 901/4885

“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.