SCHEMBL10139803

SCHEMBL10139803

Nc1n[nH]c2cc3[nH]c(-c4n[nH]c(-c5ccccc5)c4O)nc3cc12

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F9 P00740 2/20 0.51
F10 P00742 2/20 0.51
F11 P03951 2/20 0.51
F7 P08709 2/20 0.51
CDK4 P11802 6/20 0.46
CCNA2 P20248 6/20 0.46
CCND1 P24385 6/20 0.46
CDK2 P24941 6/20 0.46
CCND3 P30281 6/20 0.46
JAK2 O60674 3/20 0.46
JAK1 P23458 1/20 0.46
TYK2 P29597 1/20 0.46
JAK3 P52333 1/20 0.46
ITK Q08881 1/20 0.46
KDM4E B2RXH2 2/20 0.44
ALDH1A1 P00352 2/20 0.44
GAA P10253 2/20 0.44
HTT P42858 2/20 0.44
CYP1A2 P05177 1/20 0.44
CYP3A4 P08684 1/20 0.44

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
SCHEMBL7973109 0.81 F10 (0.52) F9F10F11F7CDK4
SCHEMBL7975272 0.80 ITK (0.63) F9F10F11F7CDK4
SCHEMBL7975946 0.79 KDM4E (0.68) F9F10F11F7CDK4
SCHEMBL10139790 0.78 F9 (0.56) F9F10F11F7ITK
SCHEMBL10139794 0.78 F9 (0.56) F9F10F11F7ITK
SCHEMBL10172578 0.78 F9 (0.56) F9F10F11F7CDK4
SCHEMBL7982406 0.78 KDM4E (0.50) F9F10F11F7CDK4
SCHEMBL7973887 0.76 F10 (0.70) F9F10F11F7KDM4E
SCHEMBL10139800 0.76 CHEK1 (0.56) F9F10F11F7KDM4E
SCHEMBL7976096 0.75 CHEK2 (0.54) F9F10F11F7CDK4

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
EP-2805939-B1 Heterocyclic compounds as factor IXA inhibitors. MERCK SHARP & DOHME (US) 2018-06-27 EP disclosed
EP-2805939-A1 Heterocyclic compounds as factor IXA inhibitors. Merck Sharp & Dohme Corp. (US) 2014-11-26 EP disclosed
US-8148363-B2 Heterocyclic compounds as factor IXA inhibitors SCHERING CORPORATION (US) 2012-04-03 US disclosed
US-8148363-B2 Heterocyclic compounds as factor IXA inhibitors SCHERING CORPORATION (US) 2012-04-03 US disclosed
US-20110065682-A1 HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-03-17 US disclosed
US-20110065682-A1 HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS MERCK SHARP & DOHME LLC 2011-03-17 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 (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-20110065682-A1 HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS F9, F12, F8 F9 1/4885F10 11/4885F11 4/4885

“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.