SCHEMBL11070896

SCHEMBL11070896

Nc1cc2cnccc2s1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 7/20 0.65
BACE1 P56817 1/20 0.43
DYRK1A Q13627 2/20 0.40
CHEK1 O14757 1/20 0.40
AURKA O14965 1/20 0.40
DAPK3 O43293 1/20 0.40
PRKD3 O94806 1/20 0.40
MAP4K4 O95819 1/20 0.40
PAK4 O96013 1/20 0.40
ABL1 P00519 1/20 0.40
RET P07949 1/20 0.40
PIM1 P11309 1/20 0.40
FGFR1 P11362 1/20 0.40
PRKACA P17612 1/20 0.40
FLT1 P17948 1/20 0.40
LTK P29376 1/20 0.40
GRK5 P34947 1/20 0.40
KDR P35968 1/20 0.40
MAPK8 P45983 1/20 0.40
CSNK1A1 P48729 1/20 0.40

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
Hydrochloric Acid SCHEMBL27139693 0.98 CYP2A6 (0.62) CYP2A6BACE1DYRK1ACHEK1AURKA
SCHEMBL30744154 0.83 CYP2A6 (0.65) CYP2A6BACE1DYRK1ACHEK1AURKA
SCHEMBL5550381 0.83 CYP2A6 (0.65) CYP2A6BACE1DYRK1ACHEK1AURKA
SCHEMBL12487353 0.79 CYP2A6 (1.00) CYP2A6DYRK1ACHEK1AURKADAPK3
Hydrochloric Acid SCHEMBL31751429 0.77 CYP2A6 (0.96) CYP2A6CYP3A4CYP2D6CYP2C9CYP2C19
Hydrochloric Acid SCHEMBL2179295 0.77 CYP2A6 (0.96) CYP2A6CYP3A4CYP2D6CYP2C9CYP2C19
SCHEMBL11071527 0.77 CYP2A6 (0.56) CYP2A6DYRK1ACHEK1AURKADAPK3
SCHEMBL3483101 0.75 CYP2A6 (0.55) CYP2A6DYRK1ACHEK1AURKADAPK3
SCHEMBL7113297 0.75 CYP2A6 (0.55) CYP2A6DYRK1ACHEK1AURKADAPK3
SCHEMBL10677527 0.75 CYP2A6 (0.55) CYP2A6DYRK1ACHEK1AURKADAPK3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-110062758-B Bicyclic dihydropyrimidine-carboxamide derivatives as RHO-kinase inhibitors 奇斯药制品公司 2023-01-17 CN disclosed
US-10584128-B2 Bicyclic dihydropyrimidine-carboxamide derivatives as Rho-Kinase inhibitors CHIESI FARMACEUTICI S.P.A. (IT) 2020-03-10 US disclosed
EP-3558999-A1 BICYCLIC DIHYDROPYRIMIDINE-CARBOXAMIDE DERIVATIVES AS RHO-KINASE INHIBITORS Chiesi Farmaceutici S.p.A. (IT) 2019-10-30 EP disclosed
WO-2018115383-A1 BICYCLIC DIHYDROPYRIMIDINE-CARBOXAMIDE DERIVATIVES AS RHO-KINASE INHIBITORS CHIESI FARMACEUTICI S.P.A. (IT) 2018-06-28 WO disclosed
US-20180170939-A1 BICYCLIC DIHYDROPYRIMIDINE-CARBOXAMIDE DERIVATIVES AS RHO- KINASE INHIBITORS CHIESI FARMACEUTISI S.p.A. (IT) 2018-06-21 US disclosed
US-4480098-A Preparation of alkali metal thieno(furo)pyridines ELI LILLY AND COMPANY (US) 1984-10-30 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-20180170939-A1 BICYCLIC DIHYDROPYRIMIDINE-CARBOXAMIDE DERIVATIVES AS RHO- KINASE INHIBITORS ROCK1, ROCK2, CIT CYP2A6 3153/4885BACE1 3906/4885DYRK1A 2180/4885
US-10584128-B2 Bicyclic dihydropyrimidine-carboxamide derivatives as Rho-Kinase inhibitors ROCK1, ROCK2, CIT CYP2A6 3153/4885BACE1 3906/4885DYRK1A 2180/4885

“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.