SCHEMBL6085604

SCHEMBL6085604

CC(C)(C)c1ccc2oc(-c3c[nH]nc3-c3cccc(NC(=O)Cc4ccccc4)c3)nc2c1

nearest known ligand 0.55

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
P2RY14 Q15391 16/20 0.55
ALDH1A1 P00352 2/20 0.51
POLB P06746 2/20 0.51
HPGD P15428 2/20 0.51
HSD17B10 Q99714 2/20 0.51
PPARG P37231 1/20 0.51
NR2E3 Q9Y5X4 1/20 0.51
NCOR2 Q9Y618 1/20 0.51
KDM4E B2RXH2 1/20 0.51
USP2 O75604 1/20 0.51
ESR1 P03372 1/20 0.51
MAPT P10636 1/20 0.51
TP53 P04637 1/20 0.51

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
SCHEMBL6085196 0.94 P2RY14 (0.63) P2RY14MAPTTP53
SCHEMBL6085660 0.91 P2RY14 (0.49) P2RY14KDM4ETP53
SCHEMBL6085891 0.90 HSD17B10 (0.47) P2RY14ALDH1A1POLBHPGDHSD17B10
SCHEMBL6085428 0.89 P2RY14 (0.69) P2RY14ALDH1A1POLBHPGDHSD17B10
SCHEMBL6083799 0.88 HSD17B10 (0.48) P2RY14ALDH1A1POLBHPGDHSD17B10
SCHEMBL6086468 0.86 HSD17B10 (0.47) P2RY14ALDH1A1POLBHPGDHSD17B10
SCHEMBL6083942 0.86 P2RY14 (0.54) P2RY14ALDH1A1POLBHPGDHSD17B10
SCHEMBL6083537 0.84 P2RY14 (0.61) P2RY14HSD17B10MAPTTP53
SCHEMBL6085471 0.84 MAPT (0.44) P2RY14ALDH1A1POLBHPGDKDM4E
SCHEMBL6084520 0.84 MAPT (0.46) ALDH1A1POLBHPGDHSD17B10KDM4E

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 P2RY14 1920/4885ALDH1A1 3486/4885POLB 1679/4885

“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.