SCHEMBL21174192

SCHEMBL21174192

Cn1cc(-c2cc(C#N)cc(CNC(=O)c3nccc4nc(C5CCOC5)n(C)c34)c2)cn1

nearest known ligand 0.37

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ EGLN2 Q96KS0 1/20 0.37
▸ LRRK2 Q5S007 2/20 0.37
▸ RET P07949 5/20 0.36
▸ MAPK1 P28482 2/20 0.35
▸ AURKB Q96GD4 2/20 0.35
▸ EGFR P00533 1/20 0.35
▸ CCNK O75909 1/20 0.35
▸ CDK12 Q9NYV4 1/20 0.35
▸ BRD4 O60885 3/20 0.35
▸ CREBBP Q92793 3/20 0.35
▸ MET P08581 1/20 0.34
▸ WNT1 P04628 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ DYRK1A Q13627 1/20 0.34
▸ USP30 Q70CQ3 1/20 0.34
▸ EGLN1 Q9GZT9 1/20 0.34

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
SCHEMBL21174099 0.91 EGLN2 (0.39) EGLN2RETMAPK1AURKBCCNK
SCHEMBL21174316 0.89 MET (0.44) MAPK1AURKBEGFRBRD4CREBBP
SCHEMBL24428213 0.81 LRRK2 (0.34) LRRK2MAPK1EGLN1
SCHEMBL21174100 0.79 MET (0.47) MAPK1AURKBMETDYRK1A
SCHEMBL21174093 0.79 MMP13 (0.36) EGLN2LRRK2
SCHEMBL21174182 0.78 EGLN2 (0.40) EGLN2RETCCNKCDK12BRD4
SCHEMBL21174189 0.78 AURKB (0.40) MAPK1AURKBEGFRMET
SCHEMBL21174206 0.77 EGLN2 (0.39) EGLN2AURKBCCNKCDK12MET
SCHEMBL21174319 0.77 MET (0.46) MAPK1BRD4CREBBPMET
SCHEMBL21174068 0.75 EGFR (0.43) EGFR

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 EGLN2 321/4885LRRK2 1323/4885RET 2641/4885
US-10774083-B2 Heterocyclic amide compound PRSS8, PRSS1, PRSS2 EGLN2 321/4885LRRK2 1323/4885RET 2641/4885

“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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