SCHEMBL2907227

SCHEMBL2907227

CC(C)c1nn(C(C)C)c2c(NCc3cc(O)c(Cl)cc3O)nc(NC3CCC(N)CC3)nc12

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 18/20 0.53
CCNE1 P24864 17/20 0.53
CCNT1 O60563 5/20 0.53
CDK9 P50750 5/20 0.53
CDK5 Q00535 3/20 0.53
CDK5R1 Q15078 3/20 0.53
CDK7 P50613 2/20 0.53
CCNH P51946 2/20 0.53
CCNE2 O96020 12/20 0.49
CCNT2 O60583 2/20 0.49
CDK1 P06493 4/20 0.46
CCNA2 P20248 11/20 0.41
CCNA1 P78396 10/20 0.41
CDK4 P11802 1/20 0.41
CCNB1 P14635 1/20 0.41
CCND1 P24385 1/20 0.41
CDK6 Q00534 1/20 0.41

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
SCHEMBL2907713 0.89 CDK2 (0.50) CDK2CCNE1CCNT1CDK9CDK5
SCHEMBL2910839 0.87 CDK2 (0.48) CDK2CCNE1CCNT1CDK9CDK5
SCHEMBL2945701 0.87 CDK2 (0.49) CDK2CCNE1CCNT1CDK9CDK5
SCHEMBL2904144 0.83 CCNE1 (0.36) CDK2CCNE1CCNT1CDK9CDK5
SCHEMBL2907704 0.82 CDK2 (0.43) CDK2CCNE1CCNT1CDK9CDK5
SCHEMBL2913424 0.82 CDK2 (0.47) CDK2CCNE1CCNT1CDK9CDK5
SCHEMBL2907216 0.82 CDK2 (0.37) CDK2CCNE1CCNT1CDK9CDK5
SCHEMBL3445143 0.82 CCNE1 (0.61) CDK2CCNE1CCNT1CDK9CDK5
SCHEMBL2910941 0.81 CDK2 (0.53) CDK2CCNE1CCNT1CDK9CDK5
SCHEMBL2907321 0.81 CDK2 (0.56) CDK2CCNE1CCNT1CDK9CDK5

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 523/4885CCNT1 610/4885

“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.