SCHEMBL21174144

SCHEMBL21174144

O=C(NCc1cccc(-n2ccnn2)c1)c1ncnc2nc(C3CCCC3)[nH]c12

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ HCRTR1 O43613 3/20 0.40
▸ HCRTR2 O43614 3/20 0.40
▸ ADORA1 P30542 2/20 0.37
▸ SYK P43405 1/20 0.36
▸ PBK Q96KB5 4/20 0.35
▸ NOTUM Q6P988 1/20 0.33
▸ PI4KB Q9UBF8 1/20 0.33
▸ BTK Q06187 3/20 0.33
▸ KLKB1 P03952 1/20 0.33
▸ USP1 O94782 1/20 0.33
▸ WDR48 Q8TAF3 1/20 0.33
▸ CYP1A2 P05177 1/20 0.33
▸ CYP3A4 P08684 1/20 0.33
▸ CYP2D6 P10635 1/20 0.33
▸ CYP2C9 P11712 1/20 0.33
▸ CYP2C19 P33261 1/20 0.33
▸ SMN1; SMN2 Q16637 1/20 0.33
▸ ROCK1 Q13464 1/20 0.32

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
SCHEMBL21174371 0.89 PI4KB (0.43) HCRTR1HCRTR2ADORA1PBKPI4KB
SCHEMBL21174114 0.86 ADORA1 (0.39) ADORA1PBKBTKCYP1A2CYP3A4
SCHEMBL21174216 0.86 ADORA1 (0.41) HCRTR1HCRTR2ADORA1PBKCYP3A4
SCHEMBL21174050 0.86 CTSD (0.40) HCRTR1HCRTR2ADORA1PBKCYP1A2
SCHEMBL21174326 0.85 CYP4Z1 (0.44) ADORA1
SCHEMBL24428158 0.84 ADORA1 (0.36) HCRTR1HCRTR2ADORA1SYKPBK
SCHEMBL27374784 0.82 ALDH1A1 (0.46) ADORA1BTKSMN1; SMN2ROCK1
SCHEMBL31456923 0.82 ALDH1A1 (0.46) ADORA1BTKSMN1; SMN2ROCK1
SCHEMBL30751453 0.76 CCR1 (0.37) ADORA1BTK
SCHEMBL21174228 0.75 PBK (0.40) ADORA1PBKBTK

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 HCRTR1 3130/4885HCRTR2 3385/4885ADORA1 4707/4885
US-10774083-B2 Heterocyclic amide compound PRSS8, PRSS1, PRSS2 HCRTR1 3130/4885HCRTR2 3385/4885ADORA1 4707/4885

“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