SCHEMBL2914070

SCHEMBL2914070

COc1ccc(CNc2nc(NC3CCCCC3N)nc3c(C(C)C)[nH]nc23)cc1

nearest known ligand 0.80

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CDK2 P24941 16/20 0.80
CDK5 Q00535 11/20 0.80
CCNA2 P20248 4/20 0.80
CDK1 P06493 4/20 0.80
CCNB1 P14635 3/20 0.80
CDK5R1 Q15078 3/20 0.80
CDK4 P11802 2/20 0.80
CCND1 P24385 2/20 0.80
CCNE1 P24864 14/20 0.71
CDK9 P50750 4/20 0.58
CCNT1 O60563 3/20 0.58
CDK6 Q00534 1/20 0.58
CCNB2 O95067 1/20 0.54
CCNB3 Q8WWL7 1/20 0.54
CCNE2 O96020 4/20 0.52
CCNA1 P78396 2/20 0.50
CCNT2 O60583 1/20 0.45
CDK7 P50613 2/20 0.44
CCNH P51946 1/20 0.44
TDP1 Q9NUW8 1/20 0.44

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
SCHEMBL3724827 0.90 CDK2 (0.78) CDK2CDK5CCNA2CDK1CCNB1
SCHEMBL3719637 0.89 CDK2 (0.83) CDK2CDK5CCNA2CDK1CCNB1
SCHEMBL3725630 0.89 CDK2 (0.83) CDK2CDK5CCNA2CDK1CCNB1
SCHEMBL3722449 0.89 CDK2 (1.00) CDK2CDK5CCNA2CDK1CCNB1
SCHEMBL2914075 0.85 CDK2 (0.58) CDK2CDK5CCNA2CDK1CCNB1
SCHEMBL2905972 0.83 CDK2 (0.76) CDK2CDK5CCNA2CDK1CCNB1
SCHEMBL2904678 0.82 CDK2 (0.69) CDK2CDK5CCNA2CDK1CCNB1
SCHEMBL3718106 0.82 CDK2 (0.80) CDK2CDK5CCNA2CDK1CCNB1
SCHEMBL3720156 0.82 CDK2 (0.80) CDK2CDK5CCNA2CDK1CCNB1
SCHEMBL3719461 0.82 CDK2 (0.80) CDK2CDK5CCNA2CDK1CCNB1

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 685/4885CDK5 1638/4885CCNA2 767/4885

“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.