SCHEMBL5990507

SCHEMBL5990507

COc1ccc(-c2cnn(C)c2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK1 P49759 4/20 0.51
CDK2 P24941 4/20 0.50
KDR P35968 4/20 0.50
FLT1 P17948 2/20 0.50
FLT4 P35916 2/20 0.50
MKNK2 Q9HBH9 2/20 0.50
PLK4 O00444 1/20 0.50
AURKA O14965 1/20 0.50
DYRK3 O43781 1/20 0.50
MAP4K4 O95819 1/20 0.50
NTRK1 P04629 1/20 0.50
INSR P06213 1/20 0.50
CDK1 P06493 1/20 0.50
FGFR1 P11362 1/20 0.50
MARK3 P27448 1/20 0.50
FLT3 P36888 1/20 0.50
CLK2 P49760 1/20 0.50
GSK3A P49840 1/20 0.50
GSK3B P49841 1/20 0.50
IRAK1 P51617 1/20 0.50

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
SCHEMBL15848818 0.80 CLK1 (0.52) CLK1MKNK2MAP4K4DYRK1ACCNC
SCHEMBL13355052 0.80 KIT (0.48) CLK1KDRFGFR1GSK3BDYRK1A
SCHEMBL5646211 0.79 MAPKAPK2 (0.51) CDK2KDRFLT1FLT4MKNK2
SCHEMBL12923974 0.79 PIM1 (0.48) CDK2KDRFGFR1FLT3CCNA2
SCHEMBL13354893 0.79 BRD4 (0.53) CLK1KDRFGFR1DYRK1ACLK4
SCHEMBL28432597 0.78 MKNK1 (0.49) KDRMKNK2FLT3CCNCCDK8
SCHEMBL844281 0.78 LRRK2 (0.61) KDRMKNK2CCNCCDK8MKNK1
SCHEMBL26027546 0.78 CYP19A1 (0.49) CCNCCDK8CYP19A1
SCHEMBL24921266 0.77 CYP1A1 (0.52) MKNK2FGFR1DYRK1AMKNK1
SCHEMBL13763422 0.77 GAA (0.47) CDK2KDRFLT1FLT4MKNK2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2023006097-A1 BIFUNCTIONAL CHIMERIC HETEROCYCLIC COMPOUND AND USE THEREOF AS ANDROGEN RECEPTOR DEGRADER 海创药业股份有限公司 2023-02-02 WO disclosed
US-8765735-B2 Isoxazolines as inhibitors of fatty acid amide hydrolase INFINITY PHARMACEUTICALS, INC. (US) 2014-07-01 US disclosed
US-8318735-B2 2-aminothiazole-4-carboxylic amides as protein kinase inhibitors MERCK SHARP & DOHME CORP. (US) 2012-11-27 US disclosed
US-20100130465-A1 2-AMINOTHIAZOLE-4-CARBOXYLIC AMIDES AS PROTEIN KINASE INHIBITORS MERCK SHARP & DOHME LLC 2010-05-27 US disclosed
US-20060122256-A1 Biaryloxymethylarenecarboxylic acids as glycogen synthase activators GILLESPIE PAUL 2006-06-08 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 (2 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-20060122256-A1 Biaryloxymethylarenecarboxylic acids as glycogen synthase activators GYS2, GYS1, GSK3A CLK1 1353/4885CDK2 386/4885KDR 2548/4885
US-20100130465-A1 2-AMINOTHIAZOLE-4-CARBOXYLIC AMIDES AS PROTEIN KINASE INHIBITORS MAPK15, CDK15, MAP3K15 CLK1 1048/4885CDK2 14/4885KDR 821/4885

“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.