SCHEMBL18909623

SCHEMBL18909623

CC(=O)/C=C/CNC1CC1

nearest known ligand 0.34

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
HTR2A P28223 1/20 0.34
HTR2C P28335 1/20 0.34
HTR2B P41595 1/20 0.34
SIGMAR1 Q99720 1/20 0.34
POLB P06746 1/20 0.32
BTK Q06187 1/20 0.32
METAP1 P53582 1/20 0.32
MEN1 O00255 1/20 0.30
KMT2A Q03164 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
SCHEMBL20893422 0.81 HTR2A (0.38) HTR2AHTR2CHTR2BSIGMAR1POLB
SCHEMBL15739458 0.81 POLB (0.47) HTR2AHTR2CHTR2BSIGMAR1POLB
SCHEMBL29185139 0.81 POLB (0.47) HTR2AHTR2CHTR2BSIGMAR1POLB
SCHEMBL14617840 0.80 HCAR2 (0.44) HTR2AHTR2CHTR2BSIGMAR1POLB
SCHEMBL17426067 0.80 ALDH1A1 (0.33) HTR2AHTR2CHTR2BSIGMAR1POLB
SCHEMBL18904835 0.80 METAP1 (0.33) HTR2AHTR2CHTR2BSIGMAR1POLB
SCHEMBL21101596 0.79 KDM4E (0.33) HTR2AHTR2CHTR2BSIGMAR1BTK
SCHEMBL25678839 0.76 TDP1 (0.33)
SCHEMBL20415397 0.76 MAPT (0.45) POLB
SCHEMBL15715697 0.74 DPP7 (0.39) HTR2AHTR2CHTR2BSIGMAR1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022109487-A1 SPIROCYCLIC-SUBSTITUTED 6,7-DIHYDRO-PYRANO[2,3-D]PYRIMIDINE INHIBITORS OF KRAS G12C MUTANT MERCK SHARP & DOHME CORP. (US) 2022-05-27 WO disclosed
WO-2022109485-A1 6,7-DIHYDRO-PYRANO[2,3-D]PYRIMIDINE INHIBITORS OF KRAS G12C MUTANT MERCK SHARP & DOHME CORP. (US) 2022-05-27 WO disclosed
WO-2021086833-A1 SMALL MOLECULE INHIBITORS OF KRAS G12C MUTANT MERCK SHARP & DOHME CORP. (US) 2021-05-06 WO disclosed
WO-2021057998-A1 PREPARATION METHOD FOR PYRROLOAMINOPYRIDAZINONE COMPOUND 上海森辉医药有限公司 2021-04-01 WO disclosed
US-10323037-B2 Aminopyridazinone compounds as protein kinase inhibitors JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2019-06-18 US disclosed
US-9951077-B2 Aminopyridazinone compounds as protein kinase inhibitors JIANGSU HENGRUI MEDICINE CO., LTD. (CN) 2018-04-24 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 (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-20170152264-A1 AMINOPYRIDAZINONE COMPOUNDS AS PROTEIN KINASE INHIBITORS SSB, MAPKAPK5, BCL9 HTR2A 3926/4885HTR2C 3942/4885HTR2B 3469/4885
US-10323037-B2 Aminopyridazinone compounds as protein kinase inhibitors SSB, MAPKAPK5, BCL9 HTR2A 3926/4885HTR2C 3942/4885HTR2B 3469/4885

“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.