Sugi Predict

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SCHEMBL2904935

SCHEMBL2904935

CC(=O)Oc1cccc(CNc2nc(NCC(C)N)nc3c(C(C)C)nn(C(C)C)c23)c1

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 4/20 0.37
▸ CCNE1 P24864 2/20 0.37
▸ CCNA2 P20248 2/20 0.37
▸ CCNA1 P78396 2/20 0.37
▸ CCNE2 O96020 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.35
▸ TSHR P16473 1/20 0.35
▸ CDK1 P06493 5/20 0.35
▸ BCDIN3D Q7Z5W3 3/20 0.34
▸ PDE9A O76083 1/20 0.34
▸ AURKA O14965 2/20 0.33
▸ RPS6KB1 P23443 1/20 0.33
▸ JAK1 P23458 1/20 0.33
▸ JAK3 P52333 1/20 0.33
▸ CCNB2 O95067 1/20 0.33
▸ CCNB1 P14635 1/20 0.33
▸ CCNB3 Q8WWL7 1/20 0.33
▸ CDK5 Q00535 1/20 0.33
▸ APP P05067 1/20 0.33
▸ STAT6 P42226 1/20 0.32

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
SCHEMBL2905476 0.93 CDK2 (0.41) CDK2CCNE1CCNE2ALDH1A1TSHR
SCHEMBL2914246 0.87 CDK2 (0.39) CDK2CCNE1CCNA2CCNA1CCNE2
SCHEMBL2910602 0.85 CDK2 (0.37) CDK2CCNE1CCNA2CCNA1CCNE2
SCHEMBL2911182 0.85 CDK1 (0.47) CDK2CCNE1CCNA2CCNA1CCNE2
SCHEMBL2914001 0.84 CDK2 (0.46) CDK2CCNE1CCNA2CCNA1CCNE2
SCHEMBL2908783 0.83 CDK2 (0.48) CDK2CCNE1CCNA2CCNA1CCNE2
SCHEMBL2911490 0.83 CDK2 (0.51) CDK2CCNE1CCNA2CCNA1CCNE2
SCHEMBL2912973 0.82 CDK2 (0.38) CDK2CCNE1CCNA2CCNA1CCNE2
SCHEMBL3445903 0.82 CDK2 (0.43) CDK2CCNE1CCNA2CCNA1CCNE2
SCHEMBL2907765 0.80 TDP1 (0.48) CDK2CCNE1CCNA2CCNA1CCNE2

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
EP-1348707-B1 Pyrazolo[4,3-d]pyrimidines, processes for their preparation and methods for therapy USTAV EX BOTAN AV CR V V I I O (CZ) 2010-08-25 — — EP disclosed
US-7745450-B2 Pyrazolo[4,3-d]pyrimidines, processes for their preparation and methods for therapy INSTITUTE OF EXPERIMENTAL BOTANY (CZ) 2010-06-29 — — US disclosed
US-20050080097-A1 Pyrazolo[4,3-D]pyrimidines, processes for their preparation and methods for therapy USTAV EXPERIMENTALNI BOTANIKY AV CR (INSTITUTE OF EXPERIMENTAL BOTANY ACADEMY OF 2005-04-14 — — US disclosed
EP-1348707-A1 Pyrazolo[4,3-d]pyrimidines, processes for their preparation and methods for therapy Ustav Experimentalni Botaniky AV CR (Institute of Experimental Botany Academy of Sciences of the Czech Republic) (CZ) 2003-10-01 — — 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-20050080097-A1 Pyrazolo[4,3-D]pyrimidines, processes for their preparation and methods for therapy CBR3, DHFR, AKR1C3 CDK2 685/4885CCNE1 523/4885CCNA2 767/4885

“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.