SCHEMBL16091685

SCHEMBL16091685

CCc1c2n(c3nc(Cl)ncc13)CCNC2=O

nearest known ligand 0.33

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 8/20 0.33
MAP4K1 Q92918 3/20 0.33
MCL1 Q07820 2/20 0.33
P2RX7 Q99572 1/20 0.33
KDM4E B2RXH2 1/20 0.31
ALDH1A1 P00352 1/20 0.31
HPGD P15428 1/20 0.31
HSD17B10 Q99714 1/20 0.31
PARP2 Q9UGN5 1/20 0.30

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
SCHEMBL16088349 0.85 PARP1 (0.39) PARP1MCL1P2RX7KDM4EALDH1A1
SCHEMBL15298049 0.75 PARP1 (0.43) PARP1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL30104836 0.73 PARP1 (0.38) PARP1
SCHEMBL4549832 0.70 CDK4 (0.50) PARP1P2RX7ALDH1A1
SCHEMBL18638028 0.69 PDCD1 (0.32) P2RX7
SCHEMBL25950341 0.63 PARP1 (0.43) PARP1KDM4EALDH1A1HPGDHSD17B10
SCHEMBL23016499 0.62 RPS6KA3 (0.48)
SCHEMBL16151297 0.62 PARP1 (0.43) PARP1MCL1
SCHEMBL16091686 0.62 CDK4 (0.48) PARP1
SCHEMBL4549882 0.62 CDK4 (0.34) P2RX7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140275067-A1 Transient Protection of Normal Cells During Chemotherapy G1 THERAPEUTICS, INC. (US) 2014-09-18 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-20140275067-A1 Transient Protection of Normal Cells During Chemotherapy CDK6, CCNC, MCL1 PARP1 366/4885MAP4K1 207/4885MCL1 3/4885

“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.