SCHEMBL17426439

SCHEMBL17426439

N[C@H]1CN(Cc2ccccc2)CC(F)(F)C1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 1/20 0.43
▸ FUCA1 P04066 2/20 0.42
▸ GAA P10253 1/20 0.41
▸ ACHE P22303 1/20 0.39
▸ ARG1 P05089 1/20 0.39
▸ ARG2 P78540 1/20 0.39
▸ CYP3A4 P08684 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.38

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
SCHEMBL20745825 1.00 SIGMAR1 (0.43) SIGMAR1FUCA1GAAACHEARG1
SCHEMBL21178613 0.83 GAA (0.49) SIGMAR1FUCA1GAAACHE
SCHEMBL20745349 0.83 GAA (0.49) SIGMAR1FUCA1GAAACHE
SCHEMBL15084332 0.81 ACHE (0.50) SIGMAR1FUCA1GAAACHE
SCHEMBL15081943 0.79 GAA (0.42) SIGMAR1FUCA1GAAACHE
SCHEMBL26186790 0.78 SIGMAR1 (0.46) SIGMAR1FUCA1GAAACHEARG1
SCHEMBL1088536 0.77 FUCA1 (0.60) SIGMAR1FUCA1ACHECYP3A4CYP1A2
Hydrochloric Acid SCHEMBL17375903 0.76 FUCA1 (0.58) SIGMAR1FUCA1ACHECYP3A4CYP1A2
Hydrochloric Acid SCHEMBL1816800 0.76 FUCA1 (0.58) SIGMAR1FUCA1ACHECYP3A4CYP1A2
SCHEMBL17304830 0.74 FUCA1 (0.56) SIGMAR1FUCA1ACHECYP3A4CYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-20170152264-A1 AMINOPYRIDAZINONE COMPOUNDS AS PROTEIN KINASE INHIBITORS Eternity Bioscience Inc. (US) 2017-06-01 — — US disclosed
WO-2016007185-A1 AMINOPYRIDAZINONE COMPOUNDS AS PROTEIN KINASE INHIBITORS Eternity Bioscience Inc. (US) 2016-01-14 — — 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 (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 SIGMAR1 4355/4885FUCA1 3585/4885GAA 4623/4885
US-10323037-B2 Aminopyridazinone compounds as protein kinase inhibitors SSB, MAPKAPK5, BCL9 SIGMAR1 4355/4885FUCA1 3585/4885GAA 4623/4885

“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.

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