SCHEMBL2915837

SCHEMBL2915837

CCOC(=O)c1nn(-c2ccc(OC)nc2)c2c1CCc1ccccc1-2

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNA2 P20248 4/20 0.54
▸ CDK2 P24941 4/20 0.54
▸ CCNA1 P78396 4/20 0.54
▸ PIK3CD O00329 1/20 0.48
▸ PIK3R2 O00459 1/20 0.48
▸ PIK3CA P42336 1/20 0.48
▸ PIK3CB P42338 1/20 0.48
▸ PIK3CG P48736 1/20 0.48
▸ PIK3R5 Q8WYR1 1/20 0.48
▸ PIK3R3 Q92569 1/20 0.48
▸ ALDH1A1 P00352 7/20 0.48
▸ KDM4E B2RXH2 3/20 0.48
▸ HPGD P15428 3/20 0.48
▸ TP53 P04637 1/20 0.48
▸ CDK4 P11802 1/20 0.46
▸ CCND3 P30281 1/20 0.46
▸ CDK6 Q00534 1/20 0.46
▸ F10 P00742 2/20 0.41
▸ F2 P00734 1/20 0.41
▸ CA1 P00915 1/20 0.41

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
SCHEMBL2915406 0.92 CCNA2 (0.49) CCNA2CDK2CCNA1PIK3CDPIK3R2
SCHEMBL2910460 0.87 PIK3CD (0.51) CCNA2CDK2CCNA1PIK3CDPIK3R2
SCHEMBL2916198 0.86 TP53 (0.49) CCNA2CDK2CCNA1PIK3CDPIK3R2
SCHEMBL8593062 0.85 ALDH1A1 (0.58) CCNA2CDK2CCNA1ALDH1A1KDM4E
SCHEMBL6792 0.84 CCNA2 (0.47) CCNA2CDK2CCNA1PIK3CDPIK3R2
SCHEMBL12275928 0.83 PIK3CD (0.69) CCNA2CDK2CCNA1PIK3CDPIK3R2
SCHEMBL2911808 0.82 PIK3CD (0.62) PIK3CDPIK3R2PIK3CAPIK3CBPIK3CG
SCHEMBL2917847 0.81 CCNA2 (0.49) CCNA2CDK2CCNA1ALDH1A1KDM4E
SCHEMBL17572017 0.80 CDK2 (0.51) CCNA2CDK2CCNA1PIK3CDPIK3R2
SCHEMBL2917544 0.80 PIK3CD (0.43) CCNA2CDK2CCNA1PIK3CDPIK3R2

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 CCNA2 1428/4885CDK2 286/4885CCNA1 1203/4885

“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.

Send feedback