SCHEMBL6084550

SCHEMBL6084550

O=C(Nc1ccccc1)Nc1cccc(-c2n[nH]cc2-c2nc3cc(-c4ccccc4)ccc3o2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGPAT2 O15120 1/20 0.54
CETP P11597 2/20 0.49
MGLL Q99685 1/20 0.47
KDM4E B2RXH2 3/20 0.47
POLB P06746 3/20 0.47
ALDH1A1 P00352 2/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
HPSE Q9Y251 1/20 0.46
CNR1 P21554 3/20 0.46
MEN1 O00255 1/20 0.46
KMT2A Q03164 1/20 0.46
HDAC6 Q9UBN7 1/20 0.45
MAPT P10636 4/20 0.44
TP53 P04637 2/20 0.44
USP2 O75604 1/20 0.44
HSD17B10 Q99714 1/20 0.44
DUSP1 P28562 1/20 0.44
IGF1R P08069 1/20 0.43

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
SCHEMBL6085318 0.95 AGPAT2 (0.51) AGPAT2CETPKDM4EPOLBALDH1A1
SCHEMBL6085225 0.94 AGPAT2 (0.54) AGPAT2CETPCNR1MAPTTP53
SCHEMBL6084683 0.93 AGPAT2 (0.54) AGPAT2CETPKDM4EPOLBALDH1A1
SCHEMBL6083541 0.92 CETP (0.51) AGPAT2CETPKDM4EPOLBALDH1A1
SCHEMBL6084830 0.92 AGPAT2 (0.53) AGPAT2CETPKDM4EPOLBALDH1A1
SCHEMBL6085606 0.91 MEN1 (0.55) KDM4EPOLBALDH1A1SMN1; SMN2NPC1
SCHEMBL6085547 0.90 P2RY14 (0.53) AGPAT2CETPKDM4EPOLBALDH1A1
SCHEMBL6085505 0.90 TP53 (0.56) AGPAT2CETPKDM4EPOLBALDH1A1
SCHEMBL6085266 0.90 RAB9A (0.52) AGPAT2CETPKDM4EPOLBALDH1A1
SCHEMBL6086936 0.87 P2RY14 (0.55) AGPAT2CETPKDM4EALDH1A1SMN1; 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 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 AGPAT2 3284/4885CETP 4875/4885MGLL 4692/4885

“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.