SCHEMBL19708331

SCHEMBL19708331

Oc1cnc2c(ccn2P)c1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
MAP4K4 O95819 1/20 0.34
CDK8 P49336 1/20 0.34
CLK2 P49760 1/20 0.34
CDK7 P50613 1/20 0.34
CDK9 P50750 1/20 0.34
CDK5 Q00535 1/20 0.34
ACVR1 Q04771 1/20 0.34
ROCK1 Q13464 1/20 0.34
DYRK1A Q13627 1/20 0.34
LRRK2 Q5S007 1/20 0.34
CLK4 Q9HAZ1 1/20 0.34
DYRK1B Q9Y463 1/20 0.34
MAPT P10636 3/20 0.32
HSD17B1 P14061 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
SCHEMBL1269052 0.77 APP (0.43) MAP4K4CDK8CLK2CDK7CDK9
SCHEMBL21886164 0.77 FGFR1 (0.39)
SCHEMBL28055645 0.73 GLO1 (0.37) MAP4K4CDK8CLK2CDK7CDK9
SCHEMBL21958555 0.72 DGAT1 (0.38) MAP4K4CDK8CLK2CDK7CDK9
SCHEMBL522712 0.70 MAP4K4 (0.30) MAP4K4CDK8CLK2CDK7CDK9
SCHEMBL17253109 0.69 DGAT1 (0.37)
SCHEMBL28439760 0.68 SLC22A12 (0.38)
SCHEMBL18346376 0.66 CYP2C19 (0.61)
SCHEMBL12146970 0.65 PARP1 (0.50) MAPT
SCHEMBL16452853 0.65 GAA (0.39) DYRK1ADYRK1BMAPT

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-20190185471-A1 SOLID FORMS OF VENETOCLAX AND PROCESSES FOR THE PREPARATION OF VENETOCLAX DR. REDDY'S LABORATORIES LIMITED (IN) 2019-06-20 US disclosed
WO-2017212431-A1 SOLID FORMS OF VENETOCLAX AND PROCESSES FOR THE PREPARATION OF VENETOCLAX DR. REDDY’S LABORATORIES LIMITED (IN) 2017-12-14 WO 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-20190185471-A1 SOLID FORMS OF VENETOCLAX AND PROCESSES FOR THE PREPARATION OF VENETOCLAX MCL1, PROC, U2AF1 MAP4K4 2051/4885CDK8 611/4885CLK2 331/4885

“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.