SCHEMBL5148949

SCHEMBL5148949

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

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 2/20 0.48
HSD17B1 P14061 1/20 0.45
HSD17B2 P37059 1/20 0.45
MEN1 O00255 2/20 0.44
KMT2A Q03164 2/20 0.44
KEAP1 Q14145 1/20 0.40
NFE2L2 Q16236 1/20 0.40
PTGS2 P35354 2/20 0.39
PTGS1 P23219 1/20 0.39
RPA1 P27694 2/20 0.39
MGLL Q99685 1/20 0.38
JAK2 O60674 1/20 0.38
OXTR P30559 3/20 0.37
AVPR1A P37288 2/20 0.37
ERN1 O75460 1/20 0.37
DYRK3 O43781 1/20 0.37
CCNA2 P20248 1/20 0.37
CDK2 P24941 1/20 0.37
DYRK1A Q13627 1/20 0.37
DYRK2 Q92630 1/20 0.37

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
SCHEMBL5149184 0.91 FYN (0.44) FYNHSD17B1HSD17B2MEN1KMT2A
SCHEMBL5147718 0.90 FYN (0.43) FYNHSD17B1HSD17B2MEN1KMT2A
SCHEMBL5148802 0.88 FYN (0.46) FYNHSD17B1HSD17B2MEN1KMT2A
SCHEMBL5150452 0.87 FYN (0.41) FYNHSD17B1HSD17B2MEN1KMT2A
SCHEMBL5150458 0.87 PTGS2 (0.43) FYNHSD17B1HSD17B2MEN1KMT2A
SCHEMBL5152183 0.86 CACNB4 (0.42) FYNMGLL
SCHEMBL14504350 0.85 PTGS2 (0.60) PTGS2PTGS1
SCHEMBL14504332 0.85 PTGS2 (0.50) FYNHSD17B1HSD17B2PTGS2PTGS1
SCHEMBL5147758 0.84 FYN (0.45) FYNHSD17B1HSD17B2MEN1KMT2A
SCHEMBL5148690 0.84 FABP3 (0.41) MEN1KMT2APTGS2PTGS1RPA1

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
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
EP-1567503-A1 PYRAZOLE DERIVATIVES USEFUL AS COX-I INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2005-08-31 EP disclosed
WO-2004050632-A1 PYRAZOLE DERIVATIVES USEFUL AS COX-I INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 2004-06-17 WO 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 1883/4885HSD17B1 104/4885HSD17B2 77/4885

“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.