Sugi Predict

Sugi Predict / Compounds / SCHEMBL2913808

SCHEMBL2913808

SCHEMBL2913808

COc1cc(O)c(CNc2nc(NCC(C)O)nc3c(C(C)C)nn(C(C)C)c23)c(O)c1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 9/20 0.35
▸ CCNE1 P24864 7/20 0.35
▸ CCNE2 O96020 3/20 0.35
▸ CDK1 P06493 4/20 0.35
▸ CDK9 P50750 3/20 0.33
▸ TDP1 Q9NUW8 1/20 0.33
▸ SRC P12931 2/20 0.32
▸ CDK5 Q00535 2/20 0.32
▸ CDK7 P50613 1/20 0.32
▸ FLT3 P36888 1/20 0.31
▸ CCNT1 O60563 1/20 0.31
▸ CDK5R1 Q15078 1/20 0.31
▸ PDE1A P54750 1/20 0.31
▸ PDE1B Q01064 1/20 0.31
▸ PDE1C Q14123 1/20 0.31
▸ MEN1 O00255 1/20 0.30
▸ PKM P14618 1/20 0.30
▸ GFER P55789 1/20 0.30
▸ KMT2A Q03164 1/20 0.30
▸ PCSK9 Q8NBP7 2/20 0.30

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
SCHEMBL2912417 0.92 CCNE1 (0.33) CDK2CCNE1CCNE2CDK1CDK9
SCHEMBL2904710 0.89 CDK2 (0.36) CDK2CCNE1CCNE2CDK1CDK9
SCHEMBL2904803 0.85 CDK2 (0.50) CDK2CCNE1CCNE2CDK1CDK9
SCHEMBL2908579 0.84 CDK2 (0.36) CDK2CCNE1CCNE2CDK1CDK9
SCHEMBL2907704 0.82 CDK2 (0.43) CDK2CCNE1CCNE2CDK1CDK9
SCHEMBL2912042 0.81 CDK2 (0.44) CDK2CCNE1CCNE2CDK1CDK9
SCHEMBL2913377 0.80 BCDIN3D (0.35) CDK2CCNE1CCNE2CDK9CDK5
SCHEMBL2906138 0.80 CDK2 (0.38) CDK2CCNE1CCNE2CDK1CDK9
SCHEMBL2907216 0.80 CDK2 (0.37) CDK2CCNE1CCNE2CDK1CDK9
SCHEMBL2910854 0.79 CDK2 (0.45) CDK2CCNE1CCNE2CDK1CDK9

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-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
WO-2003082872-A1 NOVEL 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) 2003-10-09 — — WO 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 523/4885CCNE2 747/4885

“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.