Sugi Predict

Sugi Predict / Compounds / SCHEMBL2913278

SCHEMBL2913278

SCHEMBL2913278

COc1cc(O)c(CNc2nc(NCC(C)N)nc3c(C(C)C)nn(C(C)C)c23)cc1O

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SYK P43405 1/20 0.34
▸ CCNE1 P24864 11/20 0.33
▸ CDK2 P24941 11/20 0.33
▸ CCNT1 O60563 6/20 0.33
▸ CDK9 P50750 6/20 0.33
▸ CDK5 Q00535 4/20 0.33
▸ CDK5R1 Q15078 4/20 0.33
▸ CCNB2 O95067 2/20 0.33
▸ CDK1 P06493 2/20 0.33
▸ CCNB1 P14635 2/20 0.33
▸ CCNB3 Q8WWL7 2/20 0.33
▸ CCNE2 O96020 4/20 0.32
▸ CCNA2 P20248 1/20 0.32
▸ CCNA1 P78396 1/20 0.32
▸ BCDIN3D Q7Z5W3 1/20 0.32
▸ CCNT2 O60583 3/20 0.32
▸ PDE1A P54750 4/20 0.31
▸ PDE1B Q01064 4/20 0.31
▸ PDE1C Q14123 4/20 0.31
▸ CDK7 P50613 2/20 0.31

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
SCHEMBL2908579 0.92 CDK2 (0.36) CCNE1CDK2CCNT1CDK9CDK5
SCHEMBL2904144 0.88 CCNE1 (0.36) CCNE1CDK2CCNT1CDK9CDK5
SCHEMBL2904748 0.86 CCNE1 (0.37) SYKCCNE1CDK2CCNT1CDK9
SCHEMBL2910559 0.85 CCNE1 (0.45) CCNE1CDK2CCNT1CDK9CDK5
SCHEMBL2912417 0.84 CCNE1 (0.33) SYKCCNE1CDK2CCNT1CDK9
SCHEMBL2904229 0.84 CDK2 (0.48) CCNE1CDK2CCNT1CDK9CDK5
SCHEMBL2907713 0.83 CDK2 (0.50) CCNE1CDK2CCNT1CDK9CDK5
SCHEMBL2903969 0.82 CDK2 (0.50) SYKCCNE1CDK2CCNT1CDK9
SCHEMBL3446206 0.80 CDK2 (0.39) SYKCCNE1CDK2CCNT1CDK9
SCHEMBL2913377 0.80 BCDIN3D (0.35) CCNE1CDK2CCNT1CDK9CDK5

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 SYK 2080/4885CCNE1 523/4885CDK2 685/4885

“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.