SCHEMBL6086007

SCHEMBL6086007

CNC(=O)Nc1ccc(-c2n[nH]cc2-c2nc3cc(C(C)(C)C)ccc3o2)cc1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AGPAT2 O15120 3/20 0.48
RXFP1 Q9HBX9 2/20 0.45
CETP P11597 5/20 0.45
HDAC3 O15379 1/20 0.44
HDAC1 Q13547 1/20 0.44
HDAC2 Q92769 1/20 0.44
HDAC8 Q9BY41 1/20 0.44
HDAC6 Q9UBN7 1/20 0.44
MAPT P10636 4/20 0.44
TP53 P04637 1/20 0.44
HPSE Q9Y251 1/20 0.42
CEPT1 Q9Y6K0 2/20 0.41
NPC1 O15118 2/20 0.41
POLB P06746 2/20 0.41
RAB9A P51151 2/20 0.41
CASP3 P42574 1/20 0.41
SENP7 Q9BQF6 1/20 0.41
TDP1 Q9NUW8 1/20 0.41
THRB P10828 1/20 0.41
KDM4E B2RXH2 1/20 0.40

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
SCHEMBL6085115 0.93 CETP (0.47) AGPAT2RXFP1CETPHDAC3HDAC1
SCHEMBL6085453 0.91 MAPT (0.49) AGPAT2RXFP1CETPHDAC3HDAC1
SCHEMBL6086097 0.91 NPC1 (0.52) AGPAT2RXFP1CETPHDAC3HDAC1
SCHEMBL6085356 0.90 RXFP1 (0.44) AGPAT2RXFP1CETPHDAC3HDAC1
SCHEMBL6086312 0.90 MAPT (0.52) RXFP1CETPMAPTTP53CEPT1
SCHEMBL6085392 0.90 CETP (0.45) AGPAT2RXFP1CETPHDAC3HDAC1
SCHEMBL6084919 0.88 MAPT (0.56) AGPAT2RXFP1HDAC3HDAC1HDAC2
SCHEMBL6084937 0.88 CETP (0.49) RXFP1CETPMAPTTP53CEPT1
SCHEMBL6086251 0.87 RAB9A (0.52) AGPAT2RXFP1CETPMAPTTP53
SCHEMBL6086111 0.87 RXFP1 (0.51) AGPAT2RXFP1CETPMAPTTP53

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 3284/4885RXFP1 4580/4885CETP 4875/4885

“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.