SCHEMBL6086996

SCHEMBL6086996

CC(C)(C)c1ccc2oc(-c3c[nH]nc3-c3ccc(NC(=O)C4CCCCC4C(=O)c4cccs4)cc3)nc2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 6/20 0.44
HPGD P15428 6/20 0.44
KDM4E B2RXH2 5/20 0.44
KMT2A Q03164 4/20 0.44
NPSR1 Q6W5P4 2/20 0.44
GLA P06280 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MAPT P10636 11/20 0.41
NPC1 O15118 5/20 0.41
RAB9A P51151 5/20 0.41
SMN1; SMN2 Q16637 5/20 0.41
MEN1 O00255 2/20 0.41
POLB P06746 2/20 0.41
MAPK1 P28482 2/20 0.41
ESR1 P03372 1/20 0.41
HSD17B10 Q99714 2/20 0.39
BLM P54132 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
TP53 P04637 5/20 0.38
CETP P11597 2/20 0.38

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
SCHEMBL6086993 1.00 ALDH1A1 (0.44) ALDH1A1HPGDKDM4EKMT2ANPSR1
SCHEMBL6085140 0.89 MAPT (0.47) ALDH1A1HPGDKDM4EKMT2ANPSR1
SCHEMBL6085147 0.89 MAPT (0.47) ALDH1A1HPGDKDM4EKMT2ANPSR1
SCHEMBL6085057 0.84 NPC1 (0.51) ALDH1A1HPGDKDM4EMAPTNPC1
SCHEMBL6084328 0.84 KDM4E (0.52) ALDH1A1HPGDKDM4EKMT2ANPSR1
SCHEMBL6084321 0.84 KDM4E (0.52) ALDH1A1HPGDKDM4EKMT2ANPSR1
SCHEMBL6200981 0.84 NPC1 (0.38) ALDH1A1HPGDKDM4EMAPTNPC1
SCHEMBL6084904 0.83 NPC1 (0.51) ALDH1A1HPGDKDM4EMAPTNPC1
SCHEMBL6085775 0.80 MAPT (0.45) ALDH1A1HPGDKDM4EKMT2ANPSR1
SCHEMBL6085780 0.80 MAPT (0.45) ALDH1A1HPGDKDM4EKMT2ANPSR1

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 10 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
EP-1377589-A1 OXAZOLYL-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS Pharmacia Italia S.p.A. (IT) 2004-01-07 EP disclosed
WO-2002062804-A1 OXAZOLYL-PYRAZOLE DERIVATIVES AS KINASE INHIBITORS PHARMACIA ITALIA S.P.A. (IT) 2002-08-15 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-20040180881-A1 Oxazolyl-pyrazole derivatives as kinase inhibitors MAP3K15, MAP3K20, MAP3K3 ALDH1A1 3486/4885HPGD 3730/4885KDM4E 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.