SCHEMBL5147758

SCHEMBL5147758

COc1ccc(-n2nc(C3CC3)cc2-c2ccc(O)cc2)cn1

nearest known ligand 0.45

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
FYN P06241 2/20 0.45
MGLL Q99685 2/20 0.40
CACNA1B Q00975 6/20 0.40
HSD17B1 P14061 1/20 0.39
HSD17B2 P37059 1/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
CHRNB2 P17787 2/20 0.37
CHRNB4 P30926 2/20 0.37
CHRNA3 P32297 2/20 0.37
CHRNA4 P43681 2/20 0.37
PIK3CA P42336 3/20 0.36
KEAP1 Q14145 1/20 0.36
NFE2L2 Q16236 1/20 0.36
OXTR P30559 1/20 0.35
AVPR1A P37288 1/20 0.35
MTOR P42345 2/20 0.35
MAT2A P31153 1/20 0.35

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
SCHEMBL14504443 0.86 CACNA1B (0.38) FYNMGLLCACNA1BMEN1KMT2A
SCHEMBL5148949 0.84 FYN (0.48) FYNMGLLHSD17B1HSD17B2MEN1
SCHEMBL5428272 0.84 MDM2 (0.48) MGLLCACNA1BMEN1KMT2A
SCHEMBL14504449 0.83 MGLL (0.52) MGLL
Hydrochloric Acid SCHEMBL5148903 0.82 CACNA1B (0.39) CACNA1BMEN1KMT2AMAT2A
SCHEMBL5152183 0.81 CACNB4 (0.42) FYNMGLLCACNA1B
SCHEMBL5148802 0.81 FYN (0.46) FYNMGLLHSD17B1HSD17B2MEN1
SCHEMBL6208556 0.81 FABP3 (0.40) MGLLCACNA1BPIK3CAMAT2A
SCHEMBL5148898 0.80 FABP4 (0.41) MGLLCACNA1BPIK3CA
SCHEMBL5150751 0.79 FABP3 (0.39) MGLLCACNA1BPIK3CA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1567503-B1 PYRAZOLE DERIVATIVES USEFUL AS COX-I INHIBITORS ASTELLAS PHARMA INC (JP) 2011-12-21 EP disclosed
US-20070112037-A1 Pyrazole Derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2007-05-17 US disclosed
US-7183306-B2 Pyrazole derivatives ASTELLAS PHARMA INC. (JP) 2007-02-27 US disclosed
US-20040116475-A1 Pyrazole derivatives FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-17 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-20070112037-A1 Pyrazole Derivatives CYP11B2, CYP11B1, CYP3A43 FYN 1883/4885MGLL 3793/4885CACNA1B 1131/4885

“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.