SCHEMBL6086529

SCHEMBL6086529

O=C(Nc1ccccc1)Nc1ccc(-c2n[nH]cc2-c2nc3ccccc3o2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.54
RAB9A P51151 4/20 0.54
MAPT P10636 8/20 0.48
RXFP1 Q9HBX9 3/20 0.48
CEPT1 Q9Y6K0 1/20 0.48
SMN1; SMN2 Q16637 6/20 0.48
TP53 P04637 2/20 0.48
ALDH1A1 P00352 4/20 0.47
HPGD P15428 4/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
HSD17B10 Q99714 3/20 0.47
KDM4E B2RXH2 3/20 0.47
USP2 O75604 1/20 0.47
GAA P10253 1/20 0.47
TSHR P16473 1/20 0.47
STAT3 P40763 1/20 0.47
THRB P10828 1/20 0.47
ALOX15 P16050 1/20 0.47
AGPAT2 O15120 1/20 0.47

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
SCHEMBL6084922 0.93 RAB9A (0.51) NPC1RAB9AMAPTRXFP1CEPT1
SCHEMBL6085267 0.91 NPC1 (0.55) NPC1RAB9AMAPTRXFP1CEPT1
SCHEMBL6085104 0.91 AGPAT2 (0.51) NPC1RAB9AMAPTRXFP1TP53
SCHEMBL6086600 0.91 MAPT (0.56) NPC1RAB9AMAPTRXFP1CEPT1
SCHEMBL6085606 0.90 MEN1 (0.55) NPC1RAB9AMAPTSMN1; SMN2TP53
SCHEMBL6086017 0.89 ALDH1A1 (0.58) NPC1RAB9AMAPTRXFP1SMN1; SMN2
SCHEMBL6085110 0.89 MAPT (0.52) NPC1RAB9AMAPTRXFP1CEPT1
SCHEMBL6084651 0.89 NAMPT (0.52) NPC1RAB9AMAPTRXFP1CEPT1
SCHEMBL6086476 0.89 RAB9A (0.70) NPC1RAB9AMAPTRXFP1CEPT1
SCHEMBL6085362 0.89 NPC1 (0.52) NPC1RAB9AMAPTRXFP1CEPT1

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 NPC1 4031/4885RAB9A 2584/4885MAPT 801/4885

“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.