SCHEMBL6084735

SCHEMBL6084735

CCN(CC)CCC(=O)Nc1ccc(-c2n[nH]cc2-c2nc3cc(Cl)ccc3o2)cc1

nearest known ligand 0.76

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP3 Q9Y6F1 2/20 0.76
CETP P11597 13/20 0.54
CEPT1 Q9Y6K0 1/20 0.53
CASP3 P42574 3/20 0.52
SMN1; SMN2 Q16637 2/20 0.52
MAPT P10636 2/20 0.52
KDM4E B2RXH2 1/20 0.52
ALDH1A1 P00352 1/20 0.52
HPGD P15428 1/20 0.52
HSD17B10 Q99714 1/20 0.52
SENP7 Q9BQF6 2/20 0.50
SENP8 Q96LD8 1/20 0.50
SENP6 Q9GZR1 1/20 0.50
NPC1 O15118 1/20 0.50
POLB P06746 1/20 0.50
RAB9A P51151 1/20 0.50
TDP1 Q9NUW8 1/20 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
SCHEMBL6085528 0.86 CETP (0.55) PARP3CETPCEPT1CASP3SMN1; SMN2
SCHEMBL6086029 0.84 CASP3 (0.54) PARP3CETPCEPT1CASP3SMN1; SMN2
SCHEMBL6084657 0.82 CETP (0.61) PARP3CETPCEPT1CASP3SMN1; SMN2
SCHEMBL6085326 0.82 CETP (0.56) PARP3CETPCEPT1CASP3SMN1; SMN2
SCHEMBL6084498 0.82 TP53 (0.56) CETPCEPT1CASP3SMN1; SMN2MAPT
SCHEMBL6085534 0.82 CETP (0.49) PARP3CETPCEPT1CASP3SMN1; SMN2
SCHEMBL6083887 0.81 CETP (0.55) PARP3CETPCEPT1SMN1; SMN2MAPT
SCHEMBL6085459 0.81 CETP (0.53) PARP3CETPCEPT1MAPTKDM4E
SCHEMBL6204331 0.81 RAB9A (0.59) PARP3SMN1; SMN2MAPTKDM4EALDH1A1
SCHEMBL6086290 0.80 KDR (0.58) PARP3CETPCEPT1CASP3SMN1; SMN2

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 8 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
EP-1377589-A1 OXAZOLYL-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2004-01-07 EP claimed
WO-2002062804-A1 OXAZOLYL-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2002-08-15 WO 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 PARP3 2711/4885CETP 4875/4885CEPT1 2798/4885

“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.