SCHEMBL2913765

SCHEMBL2913765

CC(C)c1n[nH]c2c(NCc3ccccc3)nc(NC3CCC(N)CC3)nc12

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 19/20 0.71
CCNA2 P20248 17/20 0.71
CDK5 Q00535 3/20 0.71
CDK1 P06493 3/20 0.71
CDK4 P11802 3/20 0.71
CCNB1 P14635 3/20 0.71
CCND1 P24385 3/20 0.71
CDK5R1 Q15078 2/20 0.71
CCNT1 O60563 1/20 0.71
CDK9 P50750 1/20 0.71
CDK6 Q00534 1/20 0.71
CCNE1 P24864 17/20 0.56
CCNE2 O96020 16/20 0.55
CCNA1 P78396 15/20 0.55
CCNB2 O95067 1/20 0.52
FLT3 P36888 1/20 0.52
CCNB3 Q8WWL7 1/20 0.52
APP P05067 1/20 0.50
BCHE P06276 1/20 0.50
ACHE P22303 1/20 0.50

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
SCHEMBL3718025 0.90 CDK2 (0.59) CDK2CCNA2CDK5CDK1CDK4
SCHEMBL3719472 0.90 CDK2 (0.59) CDK2CCNA2CDK5CDK1CDK4
SCHEMBL2914088 0.90 CDK2 (0.58) CDK2CCNA2CDK5CDK1CDK4
SCHEMBL3715540 0.89 CDK2 (0.57) CDK2CCNA2CDK5CDK1CDK4
SCHEMBL3718045 0.89 CDK2 (0.59) CDK2CCNA2CDK5CDK1CDK4
SCHEMBL3793236 0.89 CDK2 (0.57) CDK2CCNA2CDK5CDK1CDK4
SCHEMBL3799897 0.88 CDK2 (0.56) CDK2CCNA2CDK5CDK1CDK4
SCHEMBL18396867 0.87 CDK2 (0.67) CDK2CCNA2CDK5CDK1CDK4
SCHEMBL18396871 0.87 CDK2 (0.67) CDK2CCNA2CDK5CDK1CDK4
SCHEMBL3793439 0.86 CDK2 (0.54) CDK2CCNA2CDK5CDK1CDK4

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010139288-A1 5,7-DISUBSTITUTED 3-ISOPROPYLPYRAZOLO[4,3-D]PYRIMIDINES FOR USE AS MEDICAMENTS AND PHARMACEUTICAL COMPOSITIONS C3 BIO GMBH (DE) 2010-12-09 WO disclosed
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-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-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

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 685/4885CCNA2 767/4885CDK5 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.