SCHEMBL21174407

SCHEMBL21174407

Cn1cc(-c2cccc(CNC(=O)c3nccc4nc(C5CCCC5)[nH]c34)c2)cn1

nearest known ligand 0.46

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ BTK Q06187 2/20 0.46
▸ ROCK2 O75116 1/20 0.46
▸ AURKB Q96GD4 3/20 0.43
▸ AURKA O14965 1/20 0.43
▸ MAPK1 P28482 4/20 0.42
▸ CLK1 P49759 2/20 0.41
▸ MMP13 P45452 1/20 0.40
▸ WDR5 P61964 1/20 0.40
▸ AXL P30530 3/20 0.39
▸ MERTK Q12866 3/20 0.39
▸ CTSV O60911 1/20 0.39
▸ CTSL P07711 1/20 0.39
▸ CTSB P07858 1/20 0.39
▸ CTSS P25774 1/20 0.39
▸ MET P08581 1/20 0.39
▸ TYRO3 Q06418 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
SCHEMBL29634661 1.00 BTK (0.46) BTKROCK2AURKBAURKAMAPK1
SCHEMBL21174128 0.89 MET (0.47) BTKAURKBMAPK1MET
SCHEMBL21174072 0.88 USP30 (0.43) ROCK2MAPK1MMP13WDR5
SCHEMBL21174206 0.87 EGLN2 (0.39) BTKAURKBMET
SCHEMBL21174180 0.86 KDM1A (0.44) MMP13
SCHEMBL21174056 0.83 MET (0.43) BTKMET
SCHEMBL21174395 0.82 POLB (0.42) MAPK1
SCHEMBL21174373 0.81 ROCK2 (0.43) ROCK2MMP13
SCHEMBL21174140 0.81 CCKBR (0.42) ROCK2MAPK1
SCHEMBL21174367 0.81 MET (0.44) BTKAURKBMAPK1CLK1MET

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-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 BTK 3904/4885ROCK2 3705/4885AURKB 2862/4885
US-10774083-B2 Heterocyclic amide compound PRSS8, PRSS1, PRSS2 BTK 3904/4885ROCK2 3705/4885AURKB 2862/4885

“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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