SCHEMBL4177951

SCHEMBL4177951

Cc1nn(C)c(C(N)=O)c1C1CC1

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 3/20 0.39
▸ PIM3 Q86V86 2/20 0.36
▸ CDK8 P49336 2/20 0.36
▸ DAPK3 O43293 1/20 0.36
▸ PRKD3 O94806 1/20 0.36
▸ MAP4K4 O95819 1/20 0.36
▸ PRKACA P17612 1/20 0.36
▸ LTK P29376 1/20 0.36
▸ KDR P35968 1/20 0.36
▸ MAP2K2 P36507 1/20 0.36
▸ MAPK8 P45983 1/20 0.36
▸ CSNK1A1 P48729 1/20 0.36
▸ CLK2 P49760 1/20 0.36
▸ CDK9 P50750 1/20 0.36
▸ CDK5 Q00535 1/20 0.36
▸ MAP2K1 Q02750 1/20 0.36
▸ PRKCQ Q04759 1/20 0.36
▸ ACVR1 Q04771 1/20 0.36
▸ ROCK1 Q13464 1/20 0.36
▸ DYRK1A Q13627 1/20 0.36

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
SCHEMBL28974169 0.87 KDM1A (0.36) KDM4EPIM3CDK8DAPK3PRKD3
SCHEMBL28131942 0.76 SMN1; SMN2 (0.34) KDM4EPIM3CDK8DAPK3PRKD3
SCHEMBL4166587 0.74 KDM4E (0.46) KDM4EPIM3CDK8DAPK3PRKD3
SCHEMBL17045439 0.72 PKM (0.40) GAAPLATMAPT
Hydrochloric Acid SCHEMBL28348295 0.72 KDM4E (0.44) KDM4EPIM3CDK8DAPK3PRKD3
SCHEMBL1095 0.72 PIM3 (0.49) KDM4EPIM3CDK8DAPK3PRKD3
SCHEMBL30230911 0.71 SMN1; SMN2 (0.35) CDK8SMN1; SMN2ALDH1A1CCNCHASPIN
SCHEMBL9410482 0.71 KDM4E (0.66) KDM4EPIM3CDK8DAPK3PRKD3
Hydrochloric Acid SCHEMBL10919018 0.71 PIM3 (0.47) KDM4EPIM3CDK8DAPK3PRKD3
SCHEMBL15230652 0.71 SMN1; SMN2 (0.48) KDM4EPIM3CDK8DAPK3PRKD3

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-20090069320-A1 Substituted 4-Amino-Quinazoline Compounds with Metabotropic Glutamate Receptor Regulating Activity and Uses Thereof GRUENENTHAL GMBH (DE) 2009-03-12 — — 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-20090069320-A1 Substituted 4-Amino-Quinazoline Compounds with Metabotropic Glutamate Receptor Regulating Activity and Uses Thereof GRM1, GRIN1, GRM2 KDM4E 2026/4885PIM3 4820/4885CDK8 1147/4885

“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.

Send feedback