SCHEMBL2917847

SCHEMBL2917847

CCOC(=O)c1nn(-c2ccc(C)nc2)c2c1Cc1ccccc1-2

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CCNA2 P20248 4/20 0.49
▸ CDK2 P24941 4/20 0.49
▸ CCNA1 P78396 4/20 0.49
▸ ALDH1A1 P00352 6/20 0.46
▸ KDM4E B2RXH2 3/20 0.46
▸ HPGD P15428 2/20 0.46
▸ TP53 P04637 1/20 0.46
▸ GABRG2 P18507 4/20 0.45
▸ GABRB3 P28472 4/20 0.45
▸ GABRA5 P31644 4/20 0.45
▸ GABRP O00591 1/20 0.45
▸ GABRD O14764 1/20 0.45
▸ GABRA1 P14867 1/20 0.45
▸ GABRB1 P18505 1/20 0.45
▸ GABRA3 P34903 1/20 0.45
▸ GABRA2 P47869 1/20 0.45
▸ GABRB2 P47870 1/20 0.45
▸ GABRA4 P48169 1/20 0.45
▸ GABRE P78334 1/20 0.45
▸ GABRA6 Q16445 1/20 0.45

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 0.90 CCNA2 (0.48) CCNA2CDK2CCNA1ALDH1A1KDM4E
SCHEMBL2915406 0.89 CCNA2 (0.49) CCNA2CDK2CCNA1ALDH1A1KDM4E
SCHEMBL9837128 0.87 ALDH1A1 (0.56) CCNA2CDK2CCNA1ALDH1A1KDM4E
SCHEMBL2910728 0.86 CCNA2 (0.41) CCNA2CDK2CCNA1CA1CA2
SCHEMBL12276094 0.83 CCNA2 (0.47) CCNA2CDK2CCNA1ALDH1A1KDM4E
SCHEMBL18082668 0.82 CCNA2 (0.46) CCNA2CDK2CCNA1ALDH1A1KDM4E
SCHEMBL2915837 0.81 CCNA2 (0.54) CCNA2CDK2CCNA1ALDH1A1KDM4E
SCHEMBL2917370 0.81 PIK3CD (0.50) —
SCHEMBL8593062 0.78 ALDH1A1 (0.58) CCNA2CDK2CCNA1ALDH1A1KDM4E
SCHEMBL2919130 0.77 PIK3CD (0.42) CCNA2CDK2CCNA1ALDH1A1KDM4E

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.

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