SCHEMBL17364295

SCHEMBL17364295

CCn1cnc2c(-n3cc(C)c(=O)c(C)c3)nc(Cl)nc21

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CDK1 P06493 2/20 0.40
CCNB1 P14635 2/20 0.40
CCNE1 P24864 2/20 0.40
CDK2 P24941 2/20 0.40
HSP90AA1 P07900 4/20 0.36
HSP90AB1 P08238 4/20 0.36
YTHDC1 Q96MU7 7/20 0.36
CNR2 P34972 3/20 0.35
ADORA2A P29274 1/20 0.35
ADORA1 P30542 1/20 0.35
PI4KA P42356 1/20 0.35
PI4K2B Q8TCG2 1/20 0.35
PI4K2A Q9BTU6 1/20 0.35
PI4KB Q9UBF8 1/20 0.35
P2RY1 P47900 1/20 0.34
P2RX7 Q99572 1/20 0.34

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
SCHEMBL17364320 0.81 YTHDC1 (0.41) CDK1CCNB1CCNE1CDK2YTHDC1
SCHEMBL17364299 0.81 CDK1 (0.40) CDK1CCNB1CCNE1CDK2YTHDC1
SCHEMBL17364307 0.80 ADORA2A (0.50) CDK1CCNB1CCNE1CDK2ADORA2A
SCHEMBL29444616 0.73 CDK1 (0.51) CDK1CCNB1CCNE1CDK2HSP90AA1
SCHEMBL183244 0.73 CDK1 (0.51) CDK1CCNB1CCNE1CDK2HSP90AA1
SCHEMBL17367348 0.73 PNP (0.43) YTHDC1ADORA1P2RY1
SCHEMBL17367346 0.73 PNP (0.43) YTHDC1ADORA1P2RY1
SCHEMBL17367383 0.73 PNP (0.43) YTHDC1ADORA1P2RY1
SCHEMBL25229546 0.72 CDK1 (0.41) CDK1CCNB1CCNE1CDK2YTHDC1
SCHEMBL25280903 0.72 TLR7 (0.51) CDK1CCNB1CCNE1CDK2YTHDC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150376219-A1 Selective Preparations of Purine Nucleosides and Nucleotides: Reagents and Methods ZHONG MINGHONG (US) 2015-12-31 US disclosed
US-20150376219-A1 Selective Preparations of Purine Nucleosides and Nucleotides: Reagents and Methods ZHONG MINGHONG (US) 2015-12-31 US disclosed
US-20150376219-A1 Selective Preparations of Purine Nucleosides and Nucleotides: Reagents and Methods ZHONG MINGHONG (US) 2015-12-31 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-20150376219-A1 Selective Preparations of Purine Nucleosides and Nucleotides: Reagents and Methods PNP, ATIC, NT5C3B CDK1 1071/4885CCNB1 890/4885CCNE1 2170/4885

“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.