SCHEMBL21174371

SCHEMBL21174371

O=C(NCc1cccc(-n2cccn2)c1)c1ncnc2nc(C3CCCC3)[nH]c12

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PI4KB Q9UBF8 1/20 0.43
▸ KLKB1 P03952 4/20 0.42
▸ KLK1 P06870 1/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ LMNA P02545 2/20 0.41
▸ MAPK1 P28482 1/20 0.40
▸ RAB9A P51151 1/20 0.40
▸ HCRTR1 O43613 2/20 0.39
▸ HCRTR2 O43614 2/20 0.39
▸ PDE2A O00408 1/20 0.39
▸ ADORA1 P30542 1/20 0.38
▸ TNKS O95271 1/20 0.36
▸ PARP1 P09874 1/20 0.36
▸ TNKS2 Q9H2K2 1/20 0.36
▸ MERTK Q12866 1/20 0.36
▸ PBK Q96KB5 1/20 0.36
▸ KMT2A Q03164 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ L3MBTL1 Q9Y468 1/20 0.36
▸ POLB P06746 1/20 0.36

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
SCHEMBL21174144 0.89 HCRTR1 (0.40) PI4KBKLKB1HCRTR1HCRTR2ADORA1
SCHEMBL21174216 0.89 ADORA1 (0.41) HCRTR1HCRTR2ADORA1MERTKPBK
SCHEMBL21174050 0.88 CTSD (0.40) MAPK1HCRTR1HCRTR2ADORA1PBK
SCHEMBL21174326 0.86 CYP4Z1 (0.44) ADORA1
SCHEMBL21174114 0.85 ADORA1 (0.39) LMNAMAPK1ADORA1PBKKMT2A
SCHEMBL31456923 0.82 ALDH1A1 (0.46) LMNAADORA1
SCHEMBL27374784 0.82 ALDH1A1 (0.46) LMNAADORA1
SCHEMBL30751453 0.80 CCR1 (0.37) ADORA1
SCHEMBL30751321 0.77 MET (0.38) KDM4ELMNAADORA1MERTK
SCHEMBL27375683 0.77 MET (0.38) KDM4ELMNAADORA1MERTK

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 7 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

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 PI4KB 2826/4885KLKB1 2917/4885KLK1 2056/4885
US-10774083-B2 Heterocyclic amide compound PRSS8, PRSS1, PRSS2 PI4KB 2826/4885KLKB1 2917/4885KLK1 2056/4885

“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