SCHEMBL3581003

SCHEMBL3581003

CC(C)c1n[nH]c2cnc(NCCO)nc12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
P2RX3 P56373 4/20 0.39
P2RX2 Q9UBL9 4/20 0.39
CDK2 P24941 5/20 0.38
CCNE1 P24864 4/20 0.38
CDK5 Q00535 3/20 0.38
CDK1 P06493 5/20 0.36
CSNK1D P48730 1/20 0.36
CLK2 P49760 1/20 0.36
DYRK1A Q13627 1/20 0.36
HIPK4 Q8NE63 1/20 0.36
SRPK1 Q96SB4 1/20 0.36
CLK4 Q9HAZ1 1/20 0.36
GAA P10253 2/20 0.36
MAPK1 P28482 2/20 0.36
MEN1 O00255 1/20 0.36
KMT2A Q03164 1/20 0.36
SLC29A1 Q99808 1/20 0.35
EIF2AK2 P19525 2/20 0.34
CCNE2 O96020 2/20 0.34
CCNB1 P14635 2/20 0.33

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 0.80 CDK1 (0.44) CDK2CCNE1CDK5CDK1CCNB1
SCHEMBL3572015 0.78 ALPL (0.47) CDK2CCNE1CDK1MAPK1MEN1
SCHEMBL3572417 0.75 NTRK1 (0.43) CDK2CCNE1CDK5CDK1MAPK1
SCHEMBL3574162 0.75 NTRK1 (0.43) CDK2CCNE1CDK5CDK1MAPK1
SCHEMBL7255577 0.71
SCHEMBL23477029 0.70 ALDH1A1 (0.37) P2RX3P2RX2DYRK1AALDH1A1
SCHEMBL3581000 0.69
SCHEMBL19117655 0.68 RAB9A (0.44) P2RX3P2RX2CDK2CCNE1CDK1
SCHEMBL4997698 0.66 MAPK1 (0.42) CDK2CCNE1CDK5CDK1GAA
SCHEMBL14983698 0.63 GAA (0.50) P2RX3P2RX2CDK2CDK1GAA

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 P2RX3 231/4885P2RX2 527/4885CDK2 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.