SCHEMBL21174067

SCHEMBL21174067

Cn1cc(-c2cc(F)cc(CNC(=O)c3nccc4nc(C5CCC(F)(F)C5)n(C)c34)c2)cn1

nearest known ligand 0.43

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 4/20 0.43
▸ GSK3B P49841 4/20 0.39
▸ DYRK1A Q13627 4/20 0.39
▸ WNT1 P04628 1/20 0.38
▸ MAPK1 P28482 3/20 0.36
▸ AURKB Q96GD4 2/20 0.36
▸ ROS1 P08922 1/20 0.36
▸ ALK Q9UM73 1/20 0.36
▸ BRD4 O60885 1/20 0.35
▸ CREBBP Q92793 1/20 0.35
▸ KIT P10721 4/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ FGFR1 P11362 1/20 0.33
▸ FGFR2 P21802 1/20 0.33
▸ FGFR4 P22455 1/20 0.33
▸ FGFR3 P22607 1/20 0.33
▸ KDR P35968 1/20 0.33
▸ FLT3 P36888 1/20 0.33

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
SCHEMBL21174487 0.92 MET (0.42) METGSK3BDYRK1AWNT1MAPK1
SCHEMBL21174060 0.91 MET (0.42) METGSK3BDYRK1AWNT1MAPK1
SCHEMBL21174100 0.90 MET (0.47) METDYRK1AMAPK1AURKBROS1
SCHEMBL21229877 0.89 MET (0.41) METGSK3BDYRK1AWNT1MAPK1
SCHEMBL21174316 0.86 MET (0.44) METMAPK1AURKBBRD4CREBBP
SCHEMBL21174248 0.85 MET (0.43) METGSK3BDYRK1AWNT1MAPK1
SCHEMBL21174397 0.82 MET (0.46) METDYRK1AMAPK1AURKBROS1
SCHEMBL21174237 0.82 MET (0.47) METMAPK1AURKBROS1ALK
SCHEMBL21174149 0.81 MET (0.45) METGSK3BDYRK1AWNT1MAPK1
SCHEMBL21174124 0.81 MET (0.45) METDYRK1AMAPK1AURKBROS1

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 8 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
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
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 4152/4885GSK3B 4849/4885DYRK1A 4858/4885
US-10774083-B2 Heterocyclic amide compound PRSS8, PRSS1, PRSS2 MET 4152/4885GSK3B 4849/4885DYRK1A 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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