SCHEMBL14342572

SCHEMBL14342572

Oc1ccc(/C=C/c2cc(/C=C/c3ccccc3)n[nH]2)cc1

nearest known ligand 0.87

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PTGS2 P35354 3/20 0.87
▸ MAPT P10636 4/20 0.54
▸ KDR P35968 2/20 0.54
▸ APP P05067 2/20 0.54
▸ ALOX5 P09917 1/20 0.54
▸ MMP9 P14780 1/20 0.54
▸ ALOX12 P18054 1/20 0.54
▸ NFKB1 P19838 1/20 0.54
▸ STAT3 P40763 1/20 0.54
▸ NFKB2 Q00653 1/20 0.54
▸ PRKCE Q02156 1/20 0.54
▸ RELA Q04206 1/20 0.54
▸ PRKCQ Q04759 1/20 0.54
▸ PRKCD Q05655 1/20 0.54
▸ CAMK2A Q9UQM7 1/20 0.54
▸ KDM4E B2RXH2 4/20 0.49
▸ LMNA P02545 3/20 0.49
▸ HPGD P15428 3/20 0.49
▸ CYP1A2 P05177 2/20 0.49
▸ CHEK1 O14757 2/20 0.48

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
SCHEMBL1793300 1.00 PTGS2 (0.87) PTGS2MAPTKDRAPPALOX5
SCHEMBL1793302 1.00 PTGS2 (0.87) PTGS2MAPTKDRAPPALOX5
SCHEMBL1793303 1.00 PTGS2 (0.87) PTGS2MAPTKDRAPPALOX5
SCHEMBL14342571 0.90 PTGS2 (0.68) PTGS2MAPTKDRAPPALOX5
SCHEMBL17068289 0.80 PTGS2 (0.56) PTGS2MAPTKDRAPPALOX5
SCHEMBL1790052 0.80 APP (0.88) PTGS2MAPTKDRAPPALOX5
SCHEMBL1790057 0.80 APP (0.88) PTGS2MAPTKDRAPPALOX5
SCHEMBL1790054 0.80 APP (0.88) PTGS2MAPTKDRAPPALOX5
SCHEMBL1791052 0.79 PTGS2 (0.59) PTGS2MAPTAPPALOX5ALOX12
SCHEMBL1791048 0.79 PTGS2 (0.59) PTGS2MAPTAPPALOX5ALOX12

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8710038-B2 Pyrazole kinase modulators and methods of use EXELIXIS, INC. (US) 2014-04-29 — — US disclosed
US-20070293507-A1 Pyrazole Kinase Modulators And Methods Of Use EXELIXIS, INC. (US) 2007-12-20 — — 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-20070293507-A1 Pyrazole Kinase Modulators And Methods Of Use MAP3K1, MAP3K3, MAP3K5 PTGS2 768/4885MAPT 3472/4885KDR 422/4885

“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.

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