SCHEMBL21746971

SCHEMBL21746971

Cc1n[nH]c2c1CCC2=O

nearest known ligand 0.36

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.36
ALDH1A1 P00352 1/20 0.36
LMNA P02545 1/20 0.36
HPGD P15428 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TSHR P16473 1/20 0.33
GAA P10253 1/20 0.32
PKM P14618 1/20 0.32
CCR6 P51684 1/20 0.32
L3MBTL1 Q9Y468 1/20 0.32
DYRK1A Q13627 1/20 0.31
AURKA O14965 1/20 0.31
AURKB Q96GD4 1/20 0.31

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
SCHEMBL19153169 0.88 TSHR (0.43) KDM4EALDH1A1LMNAHPGDHSD17B10
SCHEMBL19153347 0.74 KDM4E (0.41) KDM4EALDH1A1LMNAHPGDDYRK1A
SCHEMBL9211977 0.71 DRD2 (0.31)
SCHEMBL22166230 0.70 AURKA (0.45) KDM4EHPGDTSHRGAADYRK1A
SCHEMBL19133894 0.68 MET (0.33) DYRK1A
SCHEMBL19153334 0.67 CRBN (0.39)
SCHEMBL21614868 0.67 MAPT (0.32) HPGD
SCHEMBL25001210 0.66 NPC1 (0.51) KDM4EGAADYRK1AAURKAAURKB
SCHEMBL9215792 0.66 CCNA2 (0.43)
SCHEMBL22743476 0.65 PARP1 (0.45)

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-10695334-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-06-30 US disclosed
WO-2020035540-A1 HETEROAROMATIC CARBOXAMIDE DERIVATIVES AS PLASMA KALLIKREIN INHIBITORS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2020-02-20 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-10695334-B2 Heteroaromatic carboxamide derivatives as plasma kallikrein inhibitors KLKB1, KLK1, KLK5 KDM4E 337/4885ALDH1A1 1415/4885LMNA 1430/4885

“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.