SCHEMBL22971925

SCHEMBL22971925

CC(=O)NNC(=O)c1ccc2c(Cl)ccnc2c1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 1/20 0.48
TP53 P04637 1/20 0.46
NPC1 O15118 4/20 0.42
RAB9A P51151 4/20 0.42
OGA O60502 2/20 0.41
PAX8 Q06710 1/20 0.39
RXFP1 Q9HBX9 1/20 0.39
SMN1; SMN2 Q16637 3/20 0.39
KMT2A Q03164 2/20 0.39
LMNA P02545 1/20 0.39
TLR7 Q9NYK1 1/20 0.38
MEN1 O00255 1/20 0.38
MAPT P10636 1/20 0.38
MAPK1 P28482 1/20 0.38
STAT3 P40763 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GAA P10253 1/20 0.38
OPRM1 P35372 1/20 0.37
OPRD1 P41143 1/20 0.37
PLK1 P53350 1/20 0.37

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
SCHEMBL24725139 0.87 SMYD3 (0.46) SMYD3NPC1RAB9AOGARXFP1
SCHEMBL2173115 0.84 PLK1 (0.52) SMYD3NPC1RAB9ASMN1; SMN2KMT2A
SCHEMBL8600739 0.82 SMYD3 (0.51) SMYD3NPC1RAB9AOGARXFP1
SCHEMBL22972033 0.81 SMYD3 (0.48) SMYD3NPC1RAB9ARXFP1KMT2A
SCHEMBL21201145 0.81 CSNK2A2 (0.50) SMYD3TP53NPC1RAB9AOGA
SCHEMBL19880107 0.81 RET (0.49) SMYD3TP53NPC1RAB9AOGA
SCHEMBL7688331 0.81 SCN9A (0.53) SMYD3
SCHEMBL7693830 0.78 NPC1 (0.52) SMYD3TP53NPC1RAB9AKMT2A
SCHEMBL4399984 0.78 ALOX15 (0.52) SMYD3RXFP1SMN1; SMN2KMT2ALMNA
SCHEMBL30426250 0.78 ALOX15 (0.52) SMYD3RXFP1SMN1; SMN2KMT2ALMNA

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-20220388979-A1 QUINOLINE DERIVATIVES AS PROTEIN KINASE INHIBITORS B.C.I. PHARMA (BE) 2022-12-08 US disclosed
WO-2021023888-A1 ISOQUINOLINE DERIVATIVES AS PROTEIN KINASE INHIBITORS B.C.I. PHARMA (BE) 2021-02-11 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-20220388979-A1 QUINOLINE DERIVATIVES AS PROTEIN KINASE INHIBITORS ABL1, PHKB, EEF2K SMYD3 2725/4885TP53 789/4885NPC1 2650/4885

“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.