SCHEMBL6084378

SCHEMBL6084378

CC1CCCC(C(=O)Nc2cccc(-c3n[nH]cc3-c3nc4ccccc4o3)c2)C1

nearest known ligand 0.48

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
HSD17B10 Q99714 7/20 0.48
KDM4E B2RXH2 5/20 0.48
USP2 O75604 6/20 0.46
POLB P06746 4/20 0.46
NPC1 O15118 2/20 0.45
RAB9A P51151 2/20 0.45
TSHR P16473 4/20 0.44
ALDH1A1 P00352 3/20 0.44
HPGD P15428 3/20 0.44
MAPK1 P28482 2/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 3/20 0.44
TP53 P04637 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
P2RY14 Q15391 5/20 0.42
TDP1 Q9NUW8 1/20 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
SCHEMBL6086001 0.91 HSD17B10 (0.46) HSD17B10KDM4EUSP2POLBNPC1
SCHEMBL6085641 0.85 NPC1 (0.52) HSD17B10KDM4EUSP2POLBNPC1
SCHEMBL6084970 0.85 HPGD (0.59) HSD17B10KDM4EUSP2POLBNPC1
SCHEMBL6085498 0.83 HPGD (0.59) HSD17B10KDM4EUSP2POLBNPC1
SCHEMBL6085861 0.83 NPC1 (0.52) HSD17B10KDM4EUSP2POLBNPC1
SCHEMBL6085323 0.82 MAPT (0.55) HSD17B10KDM4EUSP2POLBNPC1
SCHEMBL6085712 0.82 MAPT (0.51) HSD17B10KDM4EUSP2POLBNPC1
SCHEMBL6085642 0.81 MAPT (0.55) HSD17B10KDM4EUSP2NPC1RAB9A
SCHEMBL6085606 0.80 MEN1 (0.55) HSD17B10KDM4EUSP2POLBNPC1
SCHEMBL6086892 0.79 USP2 (0.74) HSD17B10KDM4EUSP2POLBNPC1

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
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 HSD17B10 3948/4885KDM4E 1175/4885USP2 2427/4885

“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.