Sugi Predict

Sugi Predict / Compounds / SCHEMBL2908697

SCHEMBL2908697

SCHEMBL2908697

CC(C)c1[nH]nc2c(NCc3c(O)cc(Cl)cc3O)nc(N[C@@H](CO)C(C)C)nc12

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK2 P24941 17/20 0.52
▸ CCNE1 P24864 13/20 0.52
▸ CDK5 Q00535 12/20 0.52
▸ CDK5R1 Q15078 4/20 0.52
▸ CDK9 P50750 3/20 0.52
▸ CCNT1 O60563 2/20 0.52
▸ CDK7 P50613 2/20 0.52
▸ CCNH P51946 1/20 0.52
▸ AURKA O14965 1/20 0.48
▸ CCNE2 O96020 1/20 0.48
▸ CDK1 P06493 7/20 0.42
▸ CCNB1 P14635 6/20 0.42
▸ CCNB2 O95067 4/20 0.42
▸ CCNB3 Q8WWL7 4/20 0.42
▸ KDM4E B2RXH2 1/20 0.40
▸ MAPT P10636 1/20 0.40
▸ CLK1 P49759 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ CDK4 P11802 2/20 0.40
▸ CCNA2 P20248 2/20 0.40

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
SCHEMBL2908707 1.00 CDK2 (0.52) CDK2CCNE1CDK5CDK5R1CDK9
SCHEMBL2912923 0.85 CDK2 (0.51) CDK2CCNE1CDK5CDK5R1CDK9
SCHEMBL2912940 0.85 CDK2 (0.51) CDK2CCNE1CDK5CDK5R1CDK9
SCHEMBL2908702 0.84 CDK2 (0.44) CDK2CCNE1CDK5CDK5R1CDK9
SCHEMBL7260702 0.83 CDK2 (0.52) CDK2CCNE1CDK5CDK5R1CDK9
SCHEMBL3444294 0.82 CDK2 (0.44) CDK2CCNE1CDK5CDK5R1CDK9
SCHEMBL3444297 0.78 CDK2 (0.42) CDK2CCNE1CDK5CDK5R1CDK9
SCHEMBL3445938 0.78 CDK2 (0.50) CDK2CCNE1CDK5CDK5R1CDK9
SCHEMBL3445947 0.78 CDK2 (0.50) CDK2CCNE1CDK5CDK5R1CDK9
SCHEMBL3446313 0.77 CDK2 (0.48) CDK2CCNE1CDK5CDK5R1CDK9

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 523/4885CDK5 1638/4885

“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.