SCHEMBL21174114

SCHEMBL21174114

O=C(NCc1cccc(-n2cnnc2)c1)c1ncnc2nc(C3CCCC3)[nH]c12

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA1 P30542 5/20 0.39
▸ TYK2 P29597 1/20 0.36
▸ MAPK1 P28482 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ ALOX15 P16050 1/20 0.36
▸ APOBEC3A P31941 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ APOBEC3G Q9HC16 1/20 0.36
▸ PBK Q96KB5 3/20 0.35
▸ CYP1A2 P05177 1/20 0.34
▸ CYP3A4 P08684 1/20 0.34
▸ CYP2D6 P10635 1/20 0.34
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34
▸ MMP13 P45452 1/20 0.34
▸ GRIN2B Q13224 1/20 0.34
▸ BTK Q06187 1/20 0.34
▸ USP2 O75604 1/20 0.33
▸ ROCK2 O75116 1/20 0.33

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
SCHEMBL21174326 0.90 CYP4Z1 (0.44) ADORA1ROCK2
SCHEMBL21174216 0.88 ADORA1 (0.41) ADORA1TYK2PBKCYP3A4
SCHEMBL21174050 0.87 CTSD (0.40) ADORA1MAPK1PBKCYP1A2CYP3A4
SCHEMBL21174144 0.86 HCRTR1 (0.40) ADORA1PBKCYP1A2CYP3A4CYP2D6
SCHEMBL21174371 0.85 PI4KB (0.43) ADORA1MAPK1MEN1KMT2APBK
SCHEMBL27374784 0.84 ALDH1A1 (0.46) ADORA1SMN1; SMN2BTKROCK2ROCK1
SCHEMBL31456923 0.84 ALDH1A1 (0.46) ADORA1SMN1; SMN2BTKROCK2ROCK1
SCHEMBL30751453 0.77 CCR1 (0.37) ADORA1BTK
SCHEMBL30751359 0.76 CYP3A4 (0.38) CYP3A4CYP2C9CYP2C19GRIN2BMAPT
SCHEMBL27377700 0.76 CYP3A4 (0.38) CYP3A4CYP2C9CYP2C19GRIN2BMAPT

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 ADORA1 4707/4885TYK2 4165/4885MAPK1 383/4885
US-10774083-B2 Heterocyclic amide compound PRSS8, PRSS1, PRSS2 ADORA1 4707/4885TYK2 4165/4885MAPK1 383/4885

“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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