SCHEMBL22972012

SCHEMBL22972012

COC(=O)c1ccc(C)c(Oc2ccnc3ccccc23)c1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 2/20 0.49
ALDH1A1 P00352 1/20 0.49
POLB P06746 1/20 0.49
ALOX15 P16050 1/20 0.47
HTT P42858 1/20 0.47
MET P08581 1/20 0.46
AXL P30530 1/20 0.46
NOTUM Q6P988 1/20 0.44
SRC P12931 4/20 0.43
TGFBR1 P36897 4/20 0.43
GCGR P47871 1/20 0.43
KDM4E B2RXH2 1/20 0.42
MAPK1 P28482 1/20 0.42
L3MBTL1 Q9Y468 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
KIF11 P52732 1/20 0.41
DYRK1A Q13627 1/20 0.41
RIPK2 O43353 1/20 0.41
HSD17B10 Q99714 1/20 0.41
PDE5A O76074 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
SCHEMBL22972146 0.88 SRC (0.45) SMN1; SMN2ALDH1A1ALOX15METAXL
SCHEMBL29317841 0.81 USP2 (0.49) ALOX15HTTMETAXLSRC
SCHEMBL22972235 0.80 MAPT (0.55) SMN1; SMN2ALDH1A1POLBHTTKDM4E
SCHEMBL24176377 0.80 NOTUM (0.48) SMN1; SMN2ALDH1A1ALOX15HTTNOTUM
SCHEMBL22972009 0.78 DDR2 (0.56) ALDH1A1HTTMETAXLKDM4E
SCHEMBL31721221 0.78 ALOX15 (0.51) SMN1; SMN2ALDH1A1POLBALOX15HTT
SCHEMBL22972340 0.77 AR (0.59) TDP1RIPK2MAPK14
SCHEMBL22972260 0.77 SRC (0.46) ALDH1A1METSRCTGFBR1KDM4E
SCHEMBL4766092 0.75 RAB9A (0.46) SMN1; SMN2SRCTGFBR1RIPK2BRAF
SCHEMBL22169843 0.75 LDLR (0.51) ALDH1A1ALOX15HTTNOTUMSRC

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 SMN1; SMN2 3964/4885ALDH1A1 4455/4885POLB 2127/4885

“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.