SCHEMBL21174326

SCHEMBL21174326

O=C(NCc1cccc(-n2ccnc2)c1)c1ncnc2nc(C3CCCC3)[nH]c12

nearest known ligand 0.44

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ CYP4Z1 Q86W10 1/20 0.44
▸ NOS2 P35228 5/20 0.43
▸ CD38 P28907 6/20 0.42
▸ ROCK2 O75116 5/20 0.41
▸ ADORA1 P30542 1/20 0.37
▸ S1PR1 P21453 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
SCHEMBL21174114 0.90 ADORA1 (0.39) ROCK2ADORA1
SCHEMBL21174216 0.86 ADORA1 (0.41) ADORA1
SCHEMBL21174050 0.86 CTSD (0.40) CD38ROCK2ADORA1S1PR1
SCHEMBL21174371 0.86 PI4KB (0.43) ADORA1
SCHEMBL21174144 0.85 HCRTR1 (0.40) ADORA1
SCHEMBL31456923 0.82 ALDH1A1 (0.46) ROCK2ADORA1
SCHEMBL27374784 0.82 ALDH1A1 (0.46) ROCK2ADORA1
SCHEMBL21174228 0.75 PBK (0.40) ADORA1
SCHEMBL30751453 0.74 CCR1 (0.37) ADORA1
SCHEMBL21174309 0.74 PBK (0.38) ADORA1

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 CYP4Z1 4524/4885NOS2 964/4885CD38 338/4885
US-10774083-B2 Heterocyclic amide compound PRSS8, PRSS1, PRSS2 CYP4Z1 4524/4885NOS2 964/4885CD38 338/4885

“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.

Send feedback