SCHEMBL6083887

SCHEMBL6083887

O=C(CCc1cccnc1)Nc1ccc(-c2n[nH]cc2-c2nc3cc(Cl)ccc3o2)cc1

nearest known ligand 0.55

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CETP P11597 17/20 0.55
CEPT1 Q9Y6K0 1/20 0.50
KDM4E B2RXH2 2/20 0.49
ALDH1A1 P00352 2/20 0.49
POLB P06746 2/20 0.49
HPGD P15428 2/20 0.49
HSD17B10 Q99714 2/20 0.49
USP2 O75604 1/20 0.49
ESR1 P03372 1/20 0.49
PARP3 Q9Y6F1 1/20 0.49
SMN1; SMN2 Q16637 2/20 0.48
MAPT P10636 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
SCHEMBL6086913 0.83 HSD17B10 (0.53) KDM4EALDH1A1POLBHPGDHSD17B10
SCHEMBL6084657 0.83 CETP (0.61) CETPCEPT1PARP3SMN1; SMN2MAPT
SCHEMBL6085528 0.82 CETP (0.55) CETPCEPT1POLBPARP3SMN1; SMN2
SCHEMBL6085326 0.81 CETP (0.56) CETPCEPT1KDM4EPOLBPARP3
SCHEMBL6085230 0.81 CETP (0.63) CETPCEPT1MAPT
SCHEMBL6084735 0.81 PARP3 (0.76) CETPCEPT1KDM4EALDH1A1POLB
SCHEMBL6086029 0.80 CASP3 (0.54) CETPCEPT1POLBPARP3SMN1; SMN2
SCHEMBL6085459 0.80 CETP (0.53) CETPCEPT1KDM4EALDH1A1HPGD
SCHEMBL6086290 0.79 KDR (0.58) CETPCEPT1KDM4EALDH1A1POLB
SCHEMBL6084498 0.78 TP53 (0.56) CETPCEPT1KDM4EALDH1A1POLB

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
US-7105535-B2 Oxazolyl-pyrazole derivatives as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2006-09-12 US claimed
EP-1377589-B1 OXAZOLYL-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PHARMACIA ITALIA SPA (IT) 2005-09-07 EP claimed
US-20040180881-A1 Oxazolyl-pyrazole derivatives as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2004-09-16 US claimed
US-7105535-B2 Oxazolyl-pyrazole derivatives as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2006-09-12 US disclosed
EP-1377589-B1 OXAZOLYL-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PHARMACIA ITALIA SPA (IT) 2005-09-07 EP disclosed
US-20040180881-A1 Oxazolyl-pyrazole derivatives as kinase inhibitors PFIZER ITALIA S.R.L. (IT) 2004-09-16 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-20040180881-A1 Oxazolyl-pyrazole derivatives as kinase inhibitors MAP3K15, MAP3K20, MAP3K3 CETP 4875/4885CEPT1 2798/4885KDM4E 1175/4885

“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.