SCHEMBL2904748

SCHEMBL2904748

COc1ccc(CNc2nc(NCC(C)N)nc3c(C(C)C)nn(C(C)C)c23)c(O)c1O

nearest known ligand 0.37

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CCNE1 P24864 9/20 0.37
CDK2 P24941 9/20 0.37
CCNE2 O96020 4/20 0.37
CCNT1 O60563 3/20 0.37
CDK9 P50750 3/20 0.37
CCNT2 O60583 2/20 0.37
PKM P14618 3/20 0.35
SYK P43405 1/20 0.34
CCNA2 P20248 1/20 0.34
CCNA1 P78396 1/20 0.34
BCDIN3D Q7Z5W3 1/20 0.33
CDK5 Q00535 1/20 0.33
CDK5R1 Q15078 1/20 0.33
GAA P10253 3/20 0.32
NPC1 O15118 2/20 0.32
RAB9A P51151 2/20 0.32
ALOX5 P09917 1/20 0.32
ALDH1A1 P00352 3/20 0.32
TSHR P16473 1/20 0.32
CCNB2 O95067 1/20 0.31

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
SCHEMBL2910559 0.92 CCNE1 (0.45) CCNE1CDK2CCNE2CCNT1CDK9
SCHEMBL2906138 0.92 CDK2 (0.38) CCNE1CDK2CCNE2CCNT1CDK9
SCHEMBL2910404 0.88 BCDIN3D (0.35) CCNE1CDK2CCNE2CCNT1CDK9
SCHEMBL2913278 0.86 SYK (0.34) CCNE1CDK2CCNE2CCNT1CDK9
SCHEMBL2910854 0.84 CDK2 (0.45) CCNE1CDK2CCNE2CCNT1CDK9
SCHEMBL2912208 0.84 CDK2 (0.55) CCNE1CDK2CCNE2CCNT1CDK9
SCHEMBL2907321 0.83 CDK2 (0.56) CCNE1CDK2CCNE2CCNT1CDK9
SCHEMBL2911079 0.82 CDK2 (0.57) CCNE1CDK2CCNE2CCNT1CDK9
SCHEMBL2907765 0.81 TDP1 (0.48) CCNE1CDK2CCNE2CCNA2CCNA1
SCHEMBL2912417 0.80 CCNE1 (0.33) CCNE1CDK2CCNE2CCNT1CDK9

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 CCNE1 523/4885CDK2 685/4885CCNE2 747/4885

“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.