SCHEMBL6086017

SCHEMBL6086017

O=C(Nc1ccc(-c2n[nH]cc2-c2nc3ccccc3o2)cc1)c1ccccc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.58
HPGD P15428 6/20 0.58
NPC1 O15118 4/20 0.58
RAB9A P51151 4/20 0.58
SMN1; SMN2 Q16637 4/20 0.58
LMNA P02545 3/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2C19 P33261 1/20 0.58
MAPT P10636 11/20 0.57
RXFP1 Q9HBX9 2/20 0.57
KDM4E B2RXH2 6/20 0.56
KMT2A Q03164 6/20 0.56
MEN1 O00255 5/20 0.56
HSD17B10 Q99714 4/20 0.56
GAA P10253 3/20 0.56
TSHR P16473 3/20 0.56
USP2 O75604 1/20 0.56
STAT3 P40763 1/20 0.56
PCSK9 Q8NBP7 1/20 0.56

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
SCHEMBL6085563 0.90 NPC1 (0.74) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL6086529 0.89 NPC1 (0.54) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL6084151 0.89 MAPT (0.61) ALDH1A1HPGDSMN1; SMN2LMNAMAPT
SCHEMBL6085893 0.88 MAPT (0.51) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL6085949 0.88 AGPAT2 (0.66) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL6084412 0.88 MAPT (0.71) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL6085407 0.88 NPC1 (0.51) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL6086476 0.87 RAB9A (0.70) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL6084919 0.86 MAPT (0.56) ALDH1A1HPGDNPC1RAB9ASMN1; SMN2
SCHEMBL6085267 0.85 NPC1 (0.55) ALDH1A1HPGDNPC1RAB9ASMN1; 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
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 3730/4885NPC1 4031/4885

“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.