SCHEMBL21245874

SCHEMBL21245874

C=C(/C=C\CN)NCCOC

nearest known ligand 0.40

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
DDAH1 O94760 1/20 0.40
HPGD P15428 6/20 0.37
ALDH1A1 P00352 5/20 0.37
HSD17B10 Q99714 1/20 0.37
MAPT P10636 1/20 0.37
GLA P06280 1/20 0.35
CNR1 P21554 1/20 0.35
GAA P10253 1/20 0.34
MAPK1 P28482 1/20 0.34
LMNA P02545 2/20 0.33
POLB P06746 1/20 0.33
ALOX15 P16050 1/20 0.32
CYP1A2 P05177 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
TSHR P16473 1/20 0.32
BCHE P06276 1/20 0.32

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
SCHEMBL18051689 0.76 HPGD (0.36) DDAH1HPGDALDH1A1HSD17B10MAPT
SCHEMBL23560299 0.68 EPHX2 (0.34) HPGDALDH1A1TSHR
SCHEMBL12145396 0.66
SCHEMBL21266951 0.66
SCHEMBL21190234 0.63
SCHEMBL18272615 0.63 ALDH1A1 (0.48) HPGDALDH1A1MAPTGAALMNA
SCHEMBL18900983 0.63
SCHEMBL8519759 0.62
SCHEMBL15367978 0.62
SCHEMBL22994328 0.62 DDAH1 (0.33) DDAH1HPGDALDH1A1CNR1LMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230062022-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS NUVATION BIO INC (US) 2023-03-02 US disclosed
US-11174252-B2 Heterocyclic compounds as kinase inhibitors NUVATION BIO INC. (US) 2021-11-16 US disclosed
CN-112334451-A Heterocyclic compounds as kinase inhibitors 诺维逊生物股份有限公司 2021-02-05 CN disclosed
US-20190248774-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS SAGARD HOLDINGS MANAGER LP, AS ADMINISTRATIVE AGENT (CA) 2019-08-15 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-11174252-B2 Heterocyclic compounds as kinase inhibitors CDK6, CDK4, CDK9 DDAH1 1859/4885HPGD 584/4885ALDH1A1 2534/4885
US-20190248774-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS CDK4, CDK6, CDK8 DDAH1 1393/4885HPGD 556/4885ALDH1A1 2992/4885
US-20230062022-A1 HETEROCYCLIC COMPOUNDS AS KINASE INHIBITORS CDK4, CDK6, CDK8 DDAH1 1393/4885HPGD 556/4885ALDH1A1 2992/4885

“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.