SCHEMBL2904692

SCHEMBL2904692

CC(C)c1[nH]nc2c(NCc3ccccc3)nc(Cl)nc12

nearest known ligand 0.65

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 8/20 0.65
CCNB1 P14635 5/20 0.65
CCNB2 O95067 3/20 0.65
CCNB3 Q8WWL7 3/20 0.65
CDK2 P24941 14/20 0.61
CDK5 Q00535 12/20 0.61
CCNE1 P24864 12/20 0.61
CDK5R1 Q15078 3/20 0.61
CDK9 P50750 3/20 0.61
CCNT1 O60563 2/20 0.61
CDK7 P50613 2/20 0.61
CCNH P51946 1/20 0.61
CDK4 P11802 2/20 0.59
CCNA2 P20248 2/20 0.59
CCND1 P24385 2/20 0.59
CDK6 Q00534 1/20 0.59
PDE5A O76074 1/20 0.50
APP P05067 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
SCHEMBL3723172 0.90 CDK2 (0.55) CDK1CCNB1CCNB2CCNB3CDK2
SCHEMBL2911502 0.86 CDK1 (0.67) CDK1CCNB1CCNB2CCNB3CDK2
SCHEMBL3717319 0.84 CDK2 (0.69) CDK1CCNB1CCNB2CCNB3CDK2
SCHEMBL3714903 0.84 CDK2 (0.53) CDK1CCNB1CCNB2CCNB3CDK2
SCHEMBL7939004 0.80 APP (0.68) CDK1PDE5AAPP
SCHEMBL2912269 0.80 CDK2 (0.65) CDK1CCNB1CCNB2CCNB3CDK2
SCHEMBL2910993 0.80 CDK2 (0.75) CDK1CCNB1CCNB2CCNB3CDK2
SCHEMBL30332119 0.79 CDK2 (0.48) CDK1CCNB1CCNB2CCNB3CDK2
SCHEMBL3239167 0.79 CDK1 (1.00) CDK1CCNB1CCNB2CCNB3CDK2
SCHEMBL2904694 0.79 CDK1 (0.53) CDK1CCNB1CCNB2CCNB3CDK2

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-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 CDK1 1081/4885CCNB1 682/4885CCNB2 605/4885

“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.