SCHEMBL6287523

SCHEMBL6287523

Oc1ccccc1Nc1cc[nH]n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GAA P10253 5/20 0.46
POLB P06746 3/20 0.46
BRAF P15056 1/20 0.39
CXCR2 P25025 2/20 0.39
RET P07949 1/20 0.38
MAPK8 P45983 1/20 0.38
MEN1 O00255 6/20 0.38
KMT2A Q03164 6/20 0.38
PIM1 P11309 1/20 0.37
KDM4E B2RXH2 2/20 0.37
MAPT P10636 2/20 0.37
THRB P10828 2/20 0.37
ALDH1A1 P00352 1/20 0.37
ALOX12 P18054 1/20 0.37
L3MBTL1 Q9Y468 2/20 0.36
CDC25B P30305 1/20 0.36
ABCB1 P08183 1/20 0.36
ABCG2 Q9UNQ0 1/20 0.36
APAF1 O14727 1/20 0.36
TDP2 O95551 1/20 0.36

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
SCHEMBL9820213 0.75 MAPT (0.64) GAAPOLBMAPK8KMT2AKDM4E
SCHEMBL1272593 0.75
SCHEMBL26779179 0.74 GAA (0.46) GAAPOLBBRAFCXCR2MAPK8
SCHEMBL834683 0.72 MAPT (0.50) GAAMEN1KMT2APIM1KDM4E
SCHEMBL304891 0.72 CXCR2 (0.54) GAAPOLBCXCR2MEN1KMT2A
SCHEMBL1920752 0.70 CXCR2 (0.52) GAAPOLBCXCR2MEN1KMT2A
SCHEMBL9820118 0.69 TNIK (0.50) GAAPOLBBRAFRETMEN1
SCHEMBL2485883 0.69 KMT2A (0.73) GAAPOLBCXCR2MAPK8MEN1
SCHEMBL3421840 0.69 KDM4E (0.53) GAAPOLBMEN1KMT2AKDM4E
SCHEMBL29493451 0.69 KDM4E (0.53) GAAPOLBMEN1KMT2AKDM4E

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0248523-B1 PYRAZOLES FISONS plc (GB) 1991-10-16 EP claimed
US-4803216-A Pyrazole-3-amines as anti-inflammatory agents FISONS PLC (GB) 1989-02-07 US claimed
EP-0248523-A1 Pyrazoles FISONS plc (GB) 1987-12-09 EP claimed
US-6888003-B2 Method for producing 7-(pyrazole-3-yl) benzoxazoles BASF AKTIENGESELLSCHAFT (DE) 2005-05-03 US disclosed
EP-1272486-B1 METHOD FOR PRODUCING 7-(PYRAZOLE-3-YL) BENZOXAZOLES BASF AG (DE) 2004-08-11 EP disclosed
US-20030050477-A1 Method for producing 7-(pyrazole-3-yl) benzoxazoles BASF AKTIENGESELLSCHAFT (DE) 2003-03-13 US disclosed
EP-0248523-B1 PYRAZOLES FISONS plc (GB) 1991-10-16 EP disclosed
US-4803216-A Pyrazole-3-amines as anti-inflammatory agents FISONS PLC (GB) 1989-02-07 US disclosed
EP-0248523-A1 Pyrazoles FISONS plc (GB) 1987-12-09 EP 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-20030050477-A1 Method for producing 7-(pyrazole-3-yl) benzoxazoles F7, F9, TPO GAA 1915/4885POLB 1598/4885BRAF 1727/4885

“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.