SCHEMBL6085563

SCHEMBL6085563

O=C(Nc1ccc(-c2n[nH]cc2-c2nc3ccccc3o2)cc1)c1cccnc1

nearest known ligand 0.74

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 7/20 0.74
RAB9A P51151 7/20 0.74
ALDH1A1 P00352 7/20 0.74
SMN1; SMN2 Q16637 5/20 0.74
HPGD P15428 5/20 0.74
LMNA P02545 1/20 0.74
CYP1A2 P05177 1/20 0.74
CYP3A4 P08684 1/20 0.74
CYP2C19 P33261 1/20 0.74
KDM4E B2RXH2 8/20 0.62
POLB P06746 4/20 0.62
USP2 O75604 3/20 0.58
MAPT P10636 12/20 0.58
HSD17B10 Q99714 7/20 0.58
NPSR1 Q6W5P4 4/20 0.58
MEN1 O00255 3/20 0.58
KMT2A Q03164 3/20 0.58
HTT P42858 1/20 0.58
TP53 P04637 7/20 0.57
GAA P10253 3/20 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
SCHEMBL6086017 0.90 ALDH1A1 (0.58) NPC1RAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL6085407 0.84 NPC1 (0.51) NPC1RAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL6085893 0.83 MAPT (0.51) NPC1RAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL6084412 0.83 MAPT (0.71) NPC1RAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL6085472 0.82 PCSK9 (0.49) NPC1RAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL6086476 0.82 RAB9A (0.70) NPC1RAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL6086529 0.82 NPC1 (0.54) NPC1RAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL6084975 0.81 MAPT (0.65) NPC1RAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL6085267 0.80 NPC1 (0.55) NPC1RAB9AALDH1A1SMN1; SMN2HPGD
SCHEMBL6084151 0.80 MAPT (0.61) ALDH1A1SMN1; SMN2HPGDLMNAKDM4E

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 NPC1 4031/4885RAB9A 2584/4885ALDH1A1 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.