SCHEMBL6084095

SCHEMBL6084095

NC(=O)CCC(=O)Nc1cccc(-c2n[nH]cc2-c2nc3cc4ccccc4cc3o2)c1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 6/20 0.48
KDM4E B2RXH2 6/20 0.48
ALDH1A1 P00352 5/20 0.48
TP53 P04637 5/20 0.48
GAA P10253 4/20 0.48
NPC1 O15118 4/20 0.48
RAB9A P51151 4/20 0.48
HPGD P15428 3/20 0.48
SMN1; SMN2 Q16637 2/20 0.48
USP2 O75604 3/20 0.45
TSHR P16473 2/20 0.45
POLB P06746 2/20 0.45
MAPK1 P28482 2/20 0.45
MAPT P10636 4/20 0.44
AURKA O14965 1/20 0.44
AURKB Q96GD4 1/20 0.44
P2RY14 Q15391 2/20 0.43
MEN1 O00255 2/20 0.42
KMT2A Q03164 2/20 0.42

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
SCHEMBL6085754 0.89 NPC1 (0.58) HSD17B10KDM4EALDH1A1TP53GAA
SCHEMBL6083799 0.87 HSD17B10 (0.48) HSD17B10KDM4EALDH1A1TP53GAA
SCHEMBL6083942 0.86 P2RY14 (0.54) HSD17B10KDM4EALDH1A1TP53HPGD
SCHEMBL6222058 0.86 HSD17B10 (0.47) HSD17B10KDM4EALDH1A1TP53GAA
SCHEMBL6086054 0.83 P2RY14 (0.63) TP53MAPTP2RY14
SCHEMBL6084339 0.81 P2RY14 (0.51) HSD17B10KDM4EALDH1A1TP53GAA
SCHEMBL6084732 0.81 P2RY14 (0.54) KDM4EALDH1A1TP53GAANPC1
SCHEMBL6086508 0.81 POLB (0.57) HSD17B10KDM4EALDH1A1TP53GAA
SCHEMBL6086347 0.81 P2RY14 (0.51) HSD17B10KDM4EALDH1A1GAANPC1
SCHEMBL6085686 0.81 TP53 (0.53) HSD17B10KDM4EALDH1A1TP53GAA

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 HSD17B10 3948/4885KDM4E 1175/4885ALDH1A1 3486/4885

“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.