SCHEMBL21174158

SCHEMBL21174158

Cn1cc(-c2cc(F)cc(CNC(=O)c3nccc4nc(CC5CC5)[nH]c34)c2)cn1

nearest known ligand 0.46

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 4/20 0.46
▸ AURKB Q96GD4 1/20 0.38
▸ DYRK1A Q13627 3/20 0.38
▸ GSK3B P49841 2/20 0.38
▸ MAPK1 P28482 1/20 0.38
▸ TBK1 Q9UHD2 1/20 0.38
▸ BTK Q06187 7/20 0.37
▸ KIT P10721 1/20 0.37
▸ SMN1; SMN2 Q16637 1/20 0.37
▸ ROS1 P08922 1/20 0.37
▸ ALK Q9UM73 1/20 0.37

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
SCHEMBL21174285 0.97 MET (0.45) METAURKBDYRK1AGSK3BMAPK1
SCHEMBL21174282 0.88 MET (0.46) METAURKBDYRK1AMAPK1BTK
SCHEMBL21174128 0.87 MET (0.47) METAURKBDYRK1AMAPK1BTK
SCHEMBL21174256 0.85 MET (0.48) METAURKBDYRK1AGSK3BMAPK1
SCHEMBL21174237 0.83 MET (0.47) METAURKBMAPK1KITSMN1; SMN2
SCHEMBL21174367 0.83 MET (0.44) METAURKBMAPK1BTKKIT
SCHEMBL21174084 0.83 MET (0.43) METAURKBMAPK1BTK
SCHEMBL21174248 0.82 MET (0.43) METAURKBDYRK1AGSK3BMAPK1
SCHEMBL21174380 0.81 MET (0.46) METAURKBMAPK1KITSMN1; SMN2
SCHEMBL21174100 0.79 MET (0.47) METAURKBDYRK1AMAPK1KIT

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-3514149-B1 HETEROCYCLIC AMIDE COMPOUND TAKEDA PHARMACEUTICALS CO (JP) 2022-05-18 — — EP disclosed
US-10774083-B2 Heterocyclic amide compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-09-15 — — US disclosed
US-10774083-B2 Heterocyclic amide compound TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2020-09-15 — — US disclosed
US-20190241566-A1 HETEROCYCLIC AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-08-08 — — US disclosed
US-20190241566-A1 HETEROCYCLIC AMIDE COMPOUND TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2019-08-08 — — US disclosed
EP-3514149-A1 HETEROCYCLIC AMIDE COMPOUND Takeda Pharmaceutical Company Limited (JP) 2019-07-24 — — EP 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-20190241566-A1 HETEROCYCLIC AMIDE COMPOUND PRSS8, PRSS1, PRSS2 MET 4152/4885AURKB 2862/4885DYRK1A 4858/4885
US-10774083-B2 Heterocyclic amide compound PRSS8, PRSS1, PRSS2 MET 4152/4885AURKB 2862/4885DYRK1A 4858/4885

“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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