SCHEMBL24704356

SCHEMBL24704356

C=CC(=O)Nc1ccc2c(N3CC[C@@H](N)C3)nccc2c1

nearest known ligand 0.44

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
GRM4 Q14833 9/20 0.44
MALT1 Q9UDY8 1/20 0.41
MCHR1 Q99705 1/20 0.39
JAK2 O60674 1/20 0.39
JAK1 P23458 1/20 0.39
TYK2 P29597 1/20 0.39
JAK3 P52333 1/20 0.39
DPP4 P27487 1/20 0.39
DPP7 Q9UHL4 1/20 0.39
EGFR P00533 3/20 0.39
SUV39H1 O43463 1/20 0.38
PRMT1 Q99873 1/20 0.38
SMYD3 Q9H7B4 1/20 0.38
F13A1 P00488 1/20 0.38
TGM2 P21980 1/20 0.38
TGM1 P22735 1/20 0.38
TGM3 Q08188 1/20 0.38

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
SCHEMBL29595455 1.00 GRM4 (0.44) GRM4MALT1MCHR1JAK2JAK1
SCHEMBL28729054 1.00 GRM4 (0.44) GRM4MALT1MCHR1JAK2JAK1
Trifluoroacetic Acid SCHEMBL28729372 0.94 DPP4 (0.48) GRM4MCHR1DPP4DPP7F13A1
Trifluoroacetic Acid SCHEMBL28729375 0.94 DPP4 (0.48) GRM4MCHR1DPP4DPP7F13A1
SCHEMBL28729966 0.88 GRM4 (0.43) GRM4MALT1MCHR1JAK2JAK1
SCHEMBL29595824 0.88 GRM4 (0.43) GRM4MALT1MCHR1JAK2JAK1
SCHEMBL29648070 0.88 GRM4 (0.43) GRM4MALT1MCHR1JAK2JAK1
SCHEMBL24704527 0.88 GRM4 (0.43) GRM4MALT1MCHR1JAK2JAK1
SCHEMBL28728980 0.86 GRM4 (0.41) GRM4MALT1
SCHEMBL22912010 0.86 MAT2A (0.38) MCHR1EGFRF13A1TGM2TGM1

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-20220388990-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASES KINNATE BIOPHARMA INC. 2022-12-08 US disclosed
CN-114401955-A Inhibitors of cyclin dependent kinases 金耐特生物制药公司 2022-04-26 CN 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-20220388990-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASES CDK2, CCNK, CDK1 GRM4 4168/4885MALT1 1482/4885MCHR1 4707/4885

“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.