SCHEMBL21174256

SCHEMBL21174256

CC(C)c1nc2ccnc(C(=O)NCc3cc(F)cc(-c4cnn(C)c4)c3)c2[nH]1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
▸ MET P08581 4/20 0.48
▸ ROS1 P08922 1/20 0.41
▸ ALK Q9UM73 1/20 0.41
▸ MAPK1 P28482 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ BTK Q06187 8/20 0.39
▸ GSK3B P49841 1/20 0.38
▸ DYRK1A Q13627 1/20 0.38
▸ AURKB Q96GD4 1/20 0.38
▸ CLK1 P49759 1/20 0.37
▸ KIT P10721 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
SCHEMBL21174128 0.85 MET (0.47) METROS1ALKMAPK1SMN1; SMN2
SCHEMBL21174282 0.85 MET (0.46) METROS1ALKMAPK1BTK
SCHEMBL21174158 0.85 MET (0.46) METROS1ALKMAPK1SMN1; SMN2
SCHEMBL21174285 0.83 MET (0.45) METROS1ALKMAPK1SMN1; SMN2
SCHEMBL21174248 0.83 MET (0.43) METROS1ALKMAPK1BTK
SCHEMBL21174367 0.82 MET (0.44) METROS1ALKMAPK1SMN1; SMN2
SCHEMBL21174084 0.82 MET (0.43) METMAPK1BTKAURKB
SCHEMBL21174173 0.78 MET (0.47) METROS1ALKMAPK1BTK
SCHEMBL21174100 0.77 MET (0.47) METROS1ALKMAPK1SMN1; SMN2
SCHEMBL21174142 0.77 MET (0.49) METROS1ALKMAPK1SMN1; SMN2

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 4152/4885ROS1 1531/4885ALK 4754/4885
US-10774083-B2 Heterocyclic amide compound PRSS8, PRSS1, PRSS2 MET 4152/4885ROS1 1531/4885ALK 4754/4885

“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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