SCHEMBL3574162

SCHEMBL3574162

CC(C)c1n[nH]c2cnc(N[C@@H](CO)c3ccccc3)nc12

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
NTRK1 P04629 2/20 0.43
RPS6KB1 P23443 1/20 0.42
CDK5 Q00535 3/20 0.41
CDK1 P06493 2/20 0.41
IDO1 P14902 1/20 0.40
TDO2 P48775 1/20 0.40
CCNT1 O60563 6/20 0.40
CDK9 P50750 6/20 0.40
MAPK1 P28482 5/20 0.39
CCNC P24863 1/20 0.39
CDK8 P49336 1/20 0.39
CDK2 P24941 3/20 0.38
CCNE1 P24864 1/20 0.38
CDK7 P50613 1/20 0.38
CCNH P51946 1/20 0.38
CDK5R1 Q15078 1/20 0.38
FGFR2 P21802 2/20 0.37
FGFR1 P11362 1/20 0.37
FGFR3 P22607 1/20 0.37

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
SCHEMBL3572417 1.00 NTRK1 (0.43) NTRK1RPS6KB1CDK5CDK1IDO1
SCHEMBL3579366 0.79 CDK1 (0.44) CDK5CDK1CCNT1CDK9CDK2
SCHEMBL3581003 0.75 P2RX3 (0.39) CDK5CDK1MAPK1CDK2CCNE1
SCHEMBL2907954 0.73 CDK2 (0.45) NTRK1CDK5CDK1CCNT1CDK9
SCHEMBL2914187 0.71 CDK5 (0.39) CDK5CDK1CCNT1CDK9CDK2
SCHEMBL3572015 0.70 ALPL (0.47) CDK1MAPK1CDK2CCNE1FGFR1
SCHEMBL30405926 0.69 RPS6KB1 (0.55) NTRK1RPS6KB1CDK5CDK1IDO1
SCHEMBL2907960 0.65 CDK2 (0.59) CDK5CDK1CCNT1CDK9CDK2
SCHEMBL4071285 0.65 NTRK1 (0.73) NTRK1FGFR1
SCHEMBL25449358 0.64 RPS6KB1 (0.54) NTRK1RPS6KB1CCNT1CDK9MAPK1

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 NTRK1 474/4885RPS6KB1 2334/4885CDK5 1638/4885

“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.