SCHEMBL18909575

SCHEMBL18909575

CCN(CC)C/C=C/C(C)=O

nearest known ligand 0.34

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
CHRM2 P08172 1/20 0.34
CHRM4 P08173 1/20 0.34
CHRM5 P08912 1/20 0.34
CHRM1 P11229 1/20 0.34
CHRM3 P20309 1/20 0.34
ALDH1A1 P00352 1/20 0.32
POLB P06746 1/20 0.31
RXRA P19793 1/20 0.30
RXRB P28702 1/20 0.30
RXRG P48443 1/20 0.30
PAX8 Q06710 1/20 0.30

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
SCHEMBL6383717 0.81 ALDH1A1 (0.43) ALDH1A1POLBRXRARXRBRXRG
SCHEMBL6383719 0.81 ALDH1A1 (0.43) ALDH1A1POLBRXRARXRBRXRG
SCHEMBL21101600 0.80 PAX8 (0.39) PAX8
SCHEMBL20334373 0.80 MCL1 (0.32) ALDH1A1
SCHEMBL23385648 0.79 ALDH1A1 (0.34) ALDH1A1
Hydrochloric Acid SCHEMBL17267621 0.79 ALDH1A1 (0.42) ALDH1A1POLBRXRARXRBRXRG
Hydrochloric Acid SCHEMBL17267622 0.79 ALDH1A1 (0.42) ALDH1A1POLBRXRARXRBRXRG
SCHEMBL17426069 0.79 ALDH1A1 (0.37) ALDH1A1
SCHEMBL14854721 0.79 ALDH1A1 (0.31) ALDH1A1
SCHEMBL14388032 0.79 ALDH1A1 (0.31) ALDH1A1

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
EP-3558955-B1 BENZISOTHIAZOLE, ISOTHIAZOLO[3,4-B]PYRIDINE, QUINAZOLINE, PHTHALAZINE, PYRIDO[2,3-D]PYRIDAZINE AND PYRIDO[2,3-D]PYRIMIDINE DERIVATIVES AS KRAS G12C INHIBITORS FOR TREATING LUNG, PANCREATIC OR COLORECTAL CANCER AMGEN INC (US) 2021-08-11 EP disclosed
WO-2021093758-A1 PYRIMIDO DERIVATIVE AND APPLICATION THEREOF IN MEDICINE 四川海思科制药有限公司 2021-05-20 WO disclosed
US-10323037-B2 Aminopyridazinone compounds as protein kinase inhibitors JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2019-06-18 US disclosed
WO-2018119183-A2 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. (US) 2018-06-28 WO disclosed
US-20170247339-A1 QUINAZOLINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF ARROMAX PHARMATECH CO., LTD. (CN) 2017-08-31 US disclosed
US-20170152264-A1 AMINOPYRIDAZINONE COMPOUNDS AS PROTEIN KINASE INHIBITORS Eternity Bioscience Inc. (US) 2017-06-01 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-20170152264-A1 AMINOPYRIDAZINONE COMPOUNDS AS PROTEIN KINASE INHIBITORS SSB, MAPKAPK5, BCL9 CHRM2 4720/4885CHRM4 4824/4885CHRM5 4427/4885
US-20170247339-A1 QUINAZOLINE DERIVATIVE, PREPARATION METHOD THEREFOR, AND PHARMACEUTICAL COMPOSITION AND APPLICATION THEREOF WEE1, WEE2, EGFR CHRM2 4558/4885CHRM4 4582/4885CHRM5 4741/4885
US-10323037-B2 Aminopyridazinone compounds as protein kinase inhibitors SSB, MAPKAPK5, BCL9 CHRM2 4720/4885CHRM4 4824/4885CHRM5 4427/4885

“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.