SCHEMBL29326228

SCHEMBL29326228

O=c1[nH]c2cc(-c3ccccc3)cnc2c(=O)n1-c1cccc2ccccc12

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PLK4 O00444 1/20 0.41
CHEK1 O14757 1/20 0.41
PRKD3 O94806 1/20 0.41
MAP4K4 O95819 1/20 0.41
CDK1 P06493 1/20 0.41
LYN P07948 1/20 0.41
RET P07949 1/20 0.41
PIM1 P11309 1/20 0.41
FER P16591 1/20 0.41
CDK2 P24941 1/20 0.41
MARK3 P27448 1/20 0.41
FLT4 P35916 1/20 0.41
KDR P35968 1/20 0.41
FLT3 P36888 1/20 0.41
SYK P43405 1/20 0.41
GSK3A P49840 1/20 0.41
GSK3B P49841 1/20 0.41
BLK P51451 1/20 0.41
RPS6KA3 P51812 1/20 0.41
LIMK1 P53667 1/20 0.41

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
SCHEMBL27377609 0.89 PLK4 (0.40) PLK4CHEK1PRKD3MAP4K4CDK1
SCHEMBL29326232 0.86 KDM4E (0.43) NPEPPSKDM4EHCAR1HTTLMNA
SCHEMBL29326278 0.86 AURKA (0.40) NPEPPSKDM4EHCAR1HTTITGA4
SCHEMBL29326351 0.84 MCL1 (0.39) PIM1NPEPPSKDM4EHCAR1HTT
SCHEMBL29326355 0.82 PARP1 (0.42) PIM1PARP1KCNMA1ITGA4ITGB7
SCHEMBL29326223 0.81 FEN1 (0.58) NPEPPSKDM4EHTTFEN1KCNMA1
SCHEMBL29326281 0.80 GRIA1 (0.44) KDM4EHTTALDH1A1
SCHEMBL29326616 0.79 IDO1 (0.44) NPEPPSKDM4EHCAR1HTTFEN1
SCHEMBL27377735 0.76 CDK1 (0.40) CDK1KDRNPEPPSKDM4EHTT
SCHEMBL27377611 0.76 KDM4E (0.42) NPEPPSKDM4EHTT

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-20240239807-A1 SARS-COV2 MAIN PROTEASE INHIBITORS GILEAD SCIENCES, INC. 2024-07-18 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-20240239807-A1 SARS-COV2 MAIN PROTEASE INHIBITORS ACE2, TMPRSS2, ACE PLK4 2462/4885CHEK1 2169/4885PRKD3 4077/4885

“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.