SCHEMBL21174142

SCHEMBL21174142

Cn1cc(-c2cc(F)cc(CNC(=O)c3ncnc4nc(C(C5CC5)C5CC5)[nH]c34)c2)cn1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 5/20 0.49
▸ KIT P10721 2/20 0.38
▸ TYK2 P29597 1/20 0.38
▸ MAPK1 P28482 1/20 0.36
▸ BTK Q06187 3/20 0.36
▸ PDPK1 O15530 1/20 0.36
▸ RPS6KB1 P23443 1/20 0.36
▸ JAK2 O60674 4/20 0.36
▸ JAK3 P52333 4/20 0.36
▸ SMN1; SMN2 Q16637 1/20 0.36
▸ KCNH2 Q12809 1/20 0.35
▸ ROS1 P08922 1/20 0.35
▸ ALK Q9UM73 1/20 0.35
▸ LRRK2 Q5S007 1/20 0.35

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
SCHEMBL21174173 0.94 MET (0.47) METKITTYK2MAPK1BTK
SCHEMBL21174281 0.87 MET (0.50) METKITMAPK1BTKPDPK1
SCHEMBL21174064 0.86 MET (0.49) METKITMAPK1BTKPDPK1
SCHEMBL21174231 0.86 MET (0.49) METKITMAPK1BTKPDPK1
SCHEMBL30751422 0.85 MET (0.53) METKITMAPK1BTKPDPK1
SCHEMBL27376393 0.85 MET (0.53) METKITMAPK1BTKPDPK1
SCHEMBL30751108 0.84 MET (0.47) METKITMAPK1BTK
SCHEMBL30751474 0.84 MET (0.47) METKITMAPK1BTKPDPK1
SCHEMBL27376359 0.84 MET (0.47) METKITMAPK1BTKPDPK1
SCHEMBL27376365 0.84 MET (0.47) METKITMAPK1BTK

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 4152/4885KIT 3598/4885TYK2 4165/4885
US-10774083-B2 Heterocyclic amide compound PRSS8, PRSS1, PRSS2 MET 4152/4885KIT 3598/4885TYK2 4165/4885

“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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