SCHEMBL2905616

SCHEMBL2905616

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

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 6/20 0.60
PDGFRA P16234 11/20 0.43
CDK2 P24941 11/20 0.43
CCNE1 P24864 9/20 0.43
CDK1 P06493 4/20 0.42
SRC P12931 1/20 0.40
CCNT1 O60563 1/20 0.39
CDK4 P11802 1/20 0.39
CCNB1 P14635 1/20 0.39
CCNA2 P20248 1/20 0.39
CCND1 P24385 1/20 0.39
CDK9 P50750 1/20 0.39
CDK6 Q00534 1/20 0.39
CDK5 Q00535 1/20 0.39
CDK5R1 Q15078 1/20 0.39

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) FLT3PDGFRACDK2CCNE1CDK1
SCHEMBL2913634 0.91 CCNE1 (0.54) FLT3PDGFRACDK2CCNE1CDK1
SCHEMBL2910969 0.90 CDK2 (0.52) FLT3PDGFRACDK2CCNE1CDK1
SCHEMBL2913588 0.86 CDK1 (0.51) FLT3PDGFRACDK2CCNE1CDK1
SCHEMBL2910495 0.85 CDK1 (0.44) FLT3CDK2CDK1CDK4CCNB1
SCHEMBL2911665 0.85 CDK1 (0.47) FLT3PDGFRACDK2CCNE1CDK1
SCHEMBL2913832 0.85 CDK1 (0.47) FLT3PDGFRACDK2CCNE1CDK1
SCHEMBL2911932 0.84 CDK1 (0.62) PDGFRACDK2CCNE1CDK1CDK4
SCHEMBL2911647 0.83 CDK1 (0.49) FLT3PDGFRACDK2CCNE1CDK1
SCHEMBL2910354 0.82 CDK9 (0.44) FLT3PDGFRACDK2CCNE1CDK1

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 FLT3 179/4885PDGFRA 1097/4885CDK2 685/4885

“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.