SCHEMBL2919130

SCHEMBL2919130

CCc1ccc(-n2nc(C(=O)O)c3c2-c2ccccc2C3)cn1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIK3CD O00329 6/20 0.42
▸ PIK3R2 O00459 6/20 0.42
▸ PIK3CA P42336 6/20 0.42
▸ PIK3CB P42338 6/20 0.42
▸ PIK3CG P48736 6/20 0.42
▸ PIK3R5 Q8WYR1 6/20 0.42
▸ PIK3R3 Q92569 6/20 0.42
▸ CCNA2 P20248 4/20 0.39
▸ CDK2 P24941 4/20 0.39
▸ CCNA1 P78396 4/20 0.39
▸ PTGER1 P34995 1/20 0.39
▸ CYP1A2 P05177 1/20 0.37
▸ HIF1A Q16665 1/20 0.37
▸ CA1 P00915 1/20 0.35
▸ CA2 P00918 1/20 0.35
▸ AURKA O14965 1/20 0.35
▸ PLK1 P53350 1/20 0.35
▸ GSR P00390 1/20 0.34
▸ BCL2 P10415 1/20 0.34
▸ MDM2 Q00987 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
SCHEMBL2916920 0.88 CCNA2 (0.48) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL2916277 0.86 PIK3CD (0.56) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL2910728 0.86 CCNA2 (0.41) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL13637487 0.83 PIK3CD (0.36) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL2910980 0.83 PIK3CD (0.51) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL13212850 0.82 PIK3CD (0.36) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL9172754 0.81 PTGER1 (0.47) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL2917847 0.77 CCNA2 (0.49) CCNA2CDK2CCNA1CA1CA2
SCHEMBL2915406 0.75 CCNA2 (0.49) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL2910460 0.74 PIK3CD (0.51) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1591443-B1 PYRAZOLE DERIVATIVE DAIICHI SANKYO CO LTD (JP) 2010-08-25 — — EP disclosed
US-7622471-B2 Pyrazole derivatives having a pyridazine and pyridine functionality DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-11-24 — — US disclosed
US-7622471-B2 Pyrazole derivatives having a pyridazine and pyridine functionality DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2009-11-24 — — US disclosed
US-20060128685-A1 Pyrazole derivative DAIICHI PHARMACEUTICAL CO., LTD., (JP) 2006-06-15 — — US disclosed
EP-1591443-A1 PYRAZOLE DERIVATIVE DAIICHI PHARMACEUTICAL CO., LTD. (JP) 2005-11-02 — — 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-20060128685-A1 Pyrazole derivative PTGS1, PTGS2, PTGER1 PIK3CD 2770/4885PIK3R2 3657/4885PIK3CA 2762/4885

“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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