SCHEMBL6085896

SCHEMBL6085896

O=C(Nc1ccc(-c2n[nH]cc2-c2nc3cc(-c4ccccc4)ccc3o2)cc1)c1cnc(Cl)c(Cl)c1

nearest known ligand 0.53

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AGPAT2 O15120 2/20 0.53
MAPT P10636 8/20 0.48
TP53 P04637 5/20 0.47
ALDH1A1 P00352 4/20 0.47
RXFP1 Q9HBX9 3/20 0.47
NPC1 O15118 3/20 0.47
RAB9A P51151 3/20 0.47
NPSR1 Q6W5P4 2/20 0.47
HSD17B10 Q99714 2/20 0.47
POLB P06746 3/20 0.47
KDM4E B2RXH2 2/20 0.47
CETP P11597 4/20 0.47
USP2 O75604 1/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
LMNA P02545 1/20 0.45
TSHR P16473 1/20 0.45
MAPK1 P28482 1/20 0.45
THRB P10828 2/20 0.44
HPGD P15428 1/20 0.44

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
SCHEMBL6086731 0.90 AGPAT2 (0.56) AGPAT2MAPTTP53ALDH1A1NPC1
SCHEMBL6085050 0.86 MAPT (0.60) AGPAT2MAPTTP53ALDH1A1RXFP1
SCHEMBL6084969 0.80 LMNA (0.64) AGPAT2MAPTTP53ALDH1A1RXFP1
SCHEMBL6083652 0.80 MAPT (0.68) MAPTTP53ALDH1A1RXFP1NPC1
SCHEMBL6085949 0.79 AGPAT2 (0.66) AGPAT2MAPTTP53ALDH1A1RXFP1
SCHEMBL6086246 0.79 TP53 (0.56) MAPTTP53ALDH1A1RXFP1NPC1
SCHEMBL6086017 0.78 ALDH1A1 (0.58) AGPAT2MAPTTP53ALDH1A1RXFP1
SCHEMBL6084729 0.78 MAPT (0.60) MAPTTP53ALDH1A1RXFP1NPC1
SCHEMBL6084919 0.78 MAPT (0.56) AGPAT2MAPTTP53ALDH1A1RXFP1
SCHEMBL6084901 0.77 POLB (0.62) AGPAT2MAPTTP53ALDH1A1RXFP1

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 3284/4885MAPT 801/4885TP53 466/4885

“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.