SCHEMBL3120925

SCHEMBL3120925

[NH]C(=O)c1ncc2[nH]ncc2n1

nearest known ligand 0.34

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 1/20 0.34
▸ DDR1 Q08345 2/20 0.31
▸ MKNK1 Q9BUB5 1/20 0.31
▸ ROCK2 O75116 1/20 0.31
▸ ROCK1 Q13464 1/20 0.31
▸ SMYD3 Q9H7B4 1/20 0.31
▸ HSP90AA1 P07900 1/20 0.31
▸ IDO1 P14902 1/20 0.31
▸ CDK2 P24941 1/20 0.31
▸ PIM1 P11309 1/20 0.30
▸ PIM3 Q86V86 1/20 0.30
▸ PIM2 Q9P1W9 1/20 0.30

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
SCHEMBL19211020 0.84 DYRK1A (0.35) DYRK1ADDR1MKNK1ROCK2ROCK1
SCHEMBL29444538 0.78 TSHR (0.42) ROCK2ROCK1
SCHEMBL5337466 0.71 DYRK1A (0.39) DYRK1AMKNK1ROCK2ROCK1HSP90AA1
SCHEMBL3118472 0.71 DYRK1A (0.39) DYRK1AMKNK1ROCK2ROCK1HSP90AA1
SCHEMBL3117779 0.71 DYRK1A (0.39) DYRK1AMKNK1ROCK2ROCK1HSP90AA1
SCHEMBL4520172 0.68 ALDH1A1 (0.50) CDK2
SCHEMBL23530790 0.67 ALDH1A1 (0.44) DYRK1AMKNK1ROCK2ROCK1HSP90AA1
SCHEMBL4145140 0.67 KDM4E (0.44) DYRK1AMKNK1ROCK2ROCK1HSP90AA1
SCHEMBL3105087 0.67 DYRK1A (0.36) DYRK1AHSP90AA1IDO1CDK2
SCHEMBL4520168 0.64 HDAC6 (0.32) —

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7803822-B2 Triazole derivative and use thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2010-09-28 — — US disclosed
US-20090105253-A1 Triazole Derivative and Use Thereof TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2009-04-23 — — US disclosed
EP-1867331-A1 TRIAZOLE DERIVATIVE AND THE USE THEREOF Takeda Pharmaceutical Company Limited (JP) 2007-12-19 — — 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 (1 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-20090105253-A1 Triazole Derivative and Use Thereof F2R, HRH4, F2RL3 DYRK1A 1440/4885DDR1 600/4885MKNK1 3784/4885

“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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