SCHEMBL6084498

SCHEMBL6084498

CN(C)c1ccc(CC(=O)Nc2ccc(-c3n[nH]cc3-c3nc4cc(Cl)ccc4o3)cc2)cc1

nearest known ligand 0.56

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
TP53 P04637 3/20 0.56
KDR P35968 4/20 0.55
THRB P10828 2/20 0.53
MAPT P10636 2/20 0.53
CETP P11597 6/20 0.53
P2RY14 Q15391 2/20 0.53
SMN1; SMN2 Q16637 2/20 0.51
KDM4E B2RXH2 1/20 0.51
ALDH1A1 P00352 1/20 0.51
POLB P06746 1/20 0.51
HPGD P15428 1/20 0.51
PPARG P37231 1/20 0.51
HSD17B10 Q99714 1/20 0.51
NR2E3 Q9Y5X4 1/20 0.51
NCOR2 Q9Y618 1/20 0.51
CEPT1 Q9Y6K0 1/20 0.51
CASP3 P42574 1/20 0.51
RXFP1 Q9HBX9 1/20 0.51

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
SCHEMBL6084737 0.88 TP53 (0.64) TP53KDRTHRBMAPTP2RY14
SCHEMBL6084057 0.85 TP53 (0.58) TP53KDRTHRBMAPTCETP
SCHEMBL6085230 0.84 CETP (0.63) TP53THRBMAPTCETPP2RY14
SCHEMBL6084735 0.82 PARP3 (0.76) MAPTCETPSMN1; SMN2KDM4EALDH1A1
SCHEMBL6086289 0.82 P2RY14 (0.62) P2RY14KDM4EALDH1A1POLBHPGD
SCHEMBL6085528 0.82 CETP (0.55) MAPTCETPSMN1; SMN2POLBCEPT1
SCHEMBL6084754 0.81 MAPT (0.67) TP53KDRMAPTCETPP2RY14
SCHEMBL6086677 0.81 MAPT (0.57) TP53KDRMAPTCETPP2RY14
SCHEMBL6086029 0.80 CASP3 (0.54) MAPTCETPSMN1; SMN2POLBCEPT1
SCHEMBL6086216 0.80 P2RY14 (0.63) TP53KDRTHRBMAPTP2RY14

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 TP53 466/4885KDR 1909/4885THRB 1963/4885

“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.