SCHEMBL22895403

SCHEMBL22895403

C=CC(=O)Nc1ccc(C(=O)O)cc1N1CCN(C)CC1

nearest known ligand 0.52

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
UCHL3 P15374 1/20 0.52
CCNK O75909 3/20 0.47
CDK12 Q9NYV4 3/20 0.47
POLB P06746 1/20 0.47
MAPK1 P28482 1/20 0.47
EGFR P00533 7/20 0.47
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
HSD17B10 Q99714 1/20 0.44
F10 P00742 1/20 0.43
MAPKAPK2 P49137 1/20 0.42
DYRK1A Q13627 1/20 0.42
MAP3K7 O43318 1/20 0.41
MAP2K1 Q02750 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC8 Q9BY41 1/20 0.41
CTSC P53634 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
SCHEMBL22895808 0.87 GAA (0.55) CCNKCDK12POLBKDM4EALDH1A1
SCHEMBL23325105 0.86 CCNK (0.53) UCHL3CCNKCDK12MAPK1EGFR
SCHEMBL22895517 0.85 KMT2A (0.50) POLBALDH1A1
SCHEMBL16095355 0.79 EGFR (0.51) UCHL3EGFRKDM4EALDH1A1HSD17B10
SCHEMBL22895375 0.78 UCHL3 (0.47) UCHL3MAPK1EGFRMAPKAPK2MAP3K7
SCHEMBL27361372 0.77 UCHL3 (0.51) UCHL3EGFRMAPKAPK2CTSC
SCHEMBL16095969 0.76 EGFR (0.58) UCHL3EGFRMAPKAPK2
SCHEMBL17287367 0.76 KDM4E (0.60) POLBMAPK1KDM4EALDH1A1HSD17B10
SCHEMBL23606806 0.75 UCHL3 (0.46) UCHL3MAPK1EGFRKDM4EALDH1A1
SCHEMBL31348830 0.75 EGFR (0.53) UCHL3EGFR

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
US-11358958-B2 2022-06-14 US disclosed
US-20210130340-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASES KINNATE BIOPHARMA INC. 2021-05-06 US disclosed
EP-3813819-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASES Kinnate Biopharma Inc. (US) 2021-05-05 EP disclosed
CN-112638373-A Cyclin-dependent kinase inhibitors 金耐特生物制药公司 2021-04-09 CN disclosed
US-10894788-B2 Inhibitors of cyclin-dependent kinases KINNATE BIOPHARMA INC. (US) 2021-01-19 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 (3 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-11358958-B2 CDK2, CDK1, CDK6 UCHL3 2790/4885CCNK 7/4885CDK12 19/4885
US-20210130340-A1 INHIBITORS OF CYCLIN-DEPENDENT KINASES CDK2, CCNK, CDK1 UCHL3 3083/4885CCNK 2/4885CDK12 22/4885
US-10894788-B2 Inhibitors of cyclin-dependent kinases CDK2, CCNK, CDK1 UCHL3 3083/4885CCNK 2/4885CDK12 22/4885

“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.