SCHEMBL7975272

SCHEMBL7975272

Oc1ccc2nc(-c3n[nH]c(-c4ccccc4)c3O)[nH]c2c1

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ITK Q08881 1/20 0.63
F9 P00740 2/20 0.58
F10 P00742 2/20 0.58
F11 P03951 2/20 0.58
F7 P08709 2/20 0.58
KDM4E B2RXH2 5/20 0.52
ALDH1A1 P00352 4/20 0.52
GAA P10253 3/20 0.52
HTT P42858 3/20 0.52
CYP3A4 P08684 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
CDK4 P11802 5/20 0.50
CCNA2 P20248 5/20 0.50
CCND1 P24385 5/20 0.50
CDK2 P24941 5/20 0.50
CCND3 P30281 5/20 0.50
JAK2 O60674 3/20 0.50
JAK1 P23458 3/20 0.50

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
SCHEMBL10139794 0.88 F9 (0.56) ITKF9F10F11F7
SCHEMBL10172578 0.88 F9 (0.56) ITKF9F10F11F7
SCHEMBL10139790 0.88 F9 (0.56) ITKF9F10F11F7
SCHEMBL7961754 0.87 ITK (0.54) ITKF9F10F11F7
SCHEMBL7975946 0.87 KDM4E (0.68) ITKF9F10F11F7
SCHEMBL7976096 0.84 CHEK2 (0.54) ITKF9F10F11F7
SCHEMBL7961534 0.84 NPBWR1 (0.65) ITKF9F10F11F7
SCHEMBL7973109 0.84 F10 (0.52) ITKF9F10F11F7
SCHEMBL7959433 0.82 RUNX1 (0.55) ITKF9F10F11F7
SCHEMBL7982406 0.80 KDM4E (0.50) ITKF9F10F11F7

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 7 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
WO-2009143039-A2 HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS SCHERING CORPORATION (US) 2009-11-26 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-20110065682-A1 HETEROCYCLIC COMPOUNDS AS FACTOR IXA INHIBITORS F9, F12, F8 ITK 2495/4885F9 1/4885F10 11/4885

“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.