SCHEMBL3572015

SCHEMBL3572015

CC(C)c1n[nH]c2cnc(NCc3ccc(O)c(O)c3)nc12

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALPL P05186 1/20 0.47
ALPG P10696 1/20 0.47
PLAA Q9Y263 1/20 0.47
IGF1R P08069 5/20 0.46
INSR P06213 3/20 0.46
ARG1 P05089 1/20 0.40
CDK1 P06493 5/20 0.39
CCNB1 P14635 5/20 0.39
CCNB2 O95067 4/20 0.39
CCNB3 Q8WWL7 4/20 0.39
ERCC1 P07992 2/20 0.39
ERCC4 Q92889 2/20 0.39
ALOX15 P16050 3/20 0.35
ALOX12 P18054 3/20 0.35
TP53 P04637 3/20 0.35
KDM4E B2RXH2 2/20 0.35
MEN1 O00255 2/20 0.35
ALDH1A1 P00352 2/20 0.35
ESR1 P03372 2/20 0.35
CYP3A4 P08684 2/20 0.35

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
SCHEMBL3579366 0.82 CDK1 (0.44) CDK1CCNB1CCNB2CCNB3TP53
SCHEMBL3581003 0.78 P2RX3 (0.39) CDK1CCNB1CCNB2CCNB3ALOX15
SCHEMBL2913009 0.71 CDK2 (0.53) CDK1CCNB1CCNB2CCNB3TP53
SCHEMBL3574162 0.70 NTRK1 (0.43) CDK1MAPK1CCNE1CDK2FGFR1
SCHEMBL3572417 0.70 NTRK1 (0.43) CDK1MAPK1CCNE1CDK2FGFR1
SCHEMBL7255577 0.66
SCHEMBL23477029 0.65 ALDH1A1 (0.37) ALDH1A1
SCHEMBL3242569 0.64 CCNB2 (0.70) CDK1CCNB1CCNB2CCNB3ALOX15
SCHEMBL3581000 0.64
SCHEMBL16146530 0.63 ALPL (0.54) ALPLALPGPLAAIGF1RINSR

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 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 ALPL 4533/4885ALPG 4385/4885PLAA 4824/4885

“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.