SCHEMBL5269315

SCHEMBL5269315

COc1ccc(-n2nc(C(=O)N3CCC(F)(F)CC3)cc2-c2cnn(C)c2)nn1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CHRNA7 P36544 1/20 0.38
▸ GABRA1 P14867 1/20 0.37
▸ RET P07949 2/20 0.37
▸ HPGD P15428 1/20 0.36
▸ CCNC P24863 2/20 0.36
▸ CDK8 P49336 2/20 0.36
▸ MGLL Q99685 1/20 0.36
▸ ALOX5 P09917 2/20 0.36
▸ GRM2 Q14416 1/20 0.36
▸ KDM5A P29375 1/20 0.35
▸ PTGS2 P35354 3/20 0.35
▸ KDM1A O60341 1/20 0.35
▸ MALT1 Q9UDY8 1/20 0.35
▸ SCN9A Q15858 1/20 0.35
▸ LRRK2 Q5S007 1/20 0.34
▸ WNT1 P04628 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ DYRK1A Q13627 1/20 0.34

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
SCHEMBL5265663 0.86 CHRNA7 (0.39) CHRNA7GABRA1HPGDMGLLALOX5
SCHEMBL5269005 0.85 GABRA1 (0.51) CHRNA7GABRA1HPGDALOX5PTGS2
SCHEMBL5265857 0.84 GABRA1 (0.41) CHRNA7GABRA1HPGDMGLLALOX5
SCHEMBL5266025 0.82 RPA1 (0.44) GRM2LRRK2
SCHEMBL5271855 0.82 GABRA1 (0.42) CHRNA7GABRA1HPGDALOX5KDM1A
SCHEMBL5272992 0.81 CYP2C9 (0.39) GABRA1HPGDSCN9A
SCHEMBL5265889 0.80 HPGD (0.37) CHRNA7GABRA1HPGDSCN9A
SCHEMBL2916627 0.80 ABL1 (0.38) GABRA1HPGDMGLL
SCHEMBL5269596 0.79 HPGD (0.36) CHRNA7GABRA1HPGDALOX5PTGS2
SCHEMBL5267510 0.79 GABRA1 (0.38) CHRNA7GABRA1HPGDALOX5PTGS2

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
US-20070254881-A1 Pyrazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-11-01 — — US disclosed
US-20070254881-A1 Pyrazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-11-01 — — US disclosed
US-20070254881-A1 Pyrazole Derivative DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-11-01 — — US disclosed
EP-1785418-A1 PYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2007-05-16 — — 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-20070254881-A1 Pyrazole Derivative PTGER1, PTGS1, PTGER2 CHRNA7 4207/4885GABRA1 1499/4885RET 4213/4885

“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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