SCHEMBL2913634

SCHEMBL2913634

CC(C)c1nn(C(C)C)c2c(Nc3ccc(Cl)cc3)nc(NC3CCC(N)CC3)nc12

nearest known ligand 0.54

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 11/20 0.54
CDK2 P24941 11/20 0.54
PDGFRA P16234 9/20 0.54
FLT3 P36888 4/20 0.51
CDK1 P06493 4/20 0.48
CCNE2 O96020 1/20 0.45
CCNA2 P20248 1/20 0.45
CCNA1 P78396 1/20 0.45
PRKCA P17252 1/20 0.42
CCNT1 O60563 1/20 0.41
CDK7 P50613 1/20 0.41
CDK9 P50750 1/20 0.41
CCNH P51946 1/20 0.41
CDK5 Q00535 1/20 0.41
CDK5R1 Q15078 1/20 0.41
NPY5R Q15761 1/20 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
SCHEMBL2912622 0.92 FLT3 (0.50) CCNE1CDK2PDGFRAFLT3CDK1
SCHEMBL2905616 0.91 FLT3 (0.60) CCNE1CDK2PDGFRAFLT3CDK1
SCHEMBL2910969 0.90 CDK2 (0.52) CCNE1CDK2PDGFRAFLT3CDK1
SCHEMBL2911932 0.89 CDK1 (0.62) CCNE1CDK2PDGFRACDK1CCNE2
SCHEMBL2911647 0.89 CDK1 (0.49) CCNE1CDK2PDGFRAFLT3CDK1
SCHEMBL2911665 0.88 CDK1 (0.47) CCNE1CDK2PDGFRAFLT3CDK1
SCHEMBL2913832 0.88 CDK1 (0.47) CCNE1CDK2PDGFRAFLT3CDK1
SCHEMBL2913588 0.86 CDK1 (0.51) CCNE1CDK2PDGFRAFLT3CDK1
SCHEMBL2914018 0.85 CLK1 (0.49) CCNE1CDK2CDK1CCNA2PRKCA
SCHEMBL2911410 0.85 CDK1 (0.44) CCNE1CDK2PDGFRAFLT3CDK1

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 CCNE1 523/4885CDK2 685/4885PDGFRA 1097/4885

“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.