SCHEMBL3666485

SCHEMBL3666485

O=C1CCN(C2=CC=C2)c2nc(Cl)ncc2N1

nearest known ligand 0.33

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CRBN Q96SW2 4/20 0.33
▸ DDB1 Q16531 3/20 0.31
▸ TYRO3 Q06418 1/20 0.31
▸ DYRK1B Q9Y463 1/20 0.31
▸ GSK3A P49840 1/20 0.30
▸ GSK3B P49841 1/20 0.30
▸ SMN1; SMN2 Q16637 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
SCHEMBL13881306 0.83 GSK3A (0.30) CRBNGSK3AGSK3B
SCHEMBL1203304 0.80 CRBN (0.52) CRBNDDB1GSK3AGSK3BSMN1; SMN2
SCHEMBL1560605 0.78 — —
SCHEMBL3672260 0.74 SMN1; SMN2 (0.34) TYRO3DYRK1BSMN1; SMN2
SCHEMBL21755690 0.72 GSK3A (0.47) CRBNDDB1GSK3AGSK3B
SCHEMBL3666481 0.72 KDM4E (0.36) TYRO3DYRK1BSMN1; SMN2
SCHEMBL30135929 0.72 KDM4E (0.36) —
SCHEMBL1203575 0.72 KDM4E (0.36) —
SCHEMBL3544001 0.71 KDM4E (0.37) —
SCHEMBL3673443 0.70 ALDH1A1 (0.35) CRBNDDB1TYRO3DYRK1BSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2139892-A1 SUBSTITUTED PYRIMIDODIAZEPINES USEFUL AS PLK1 INHIBITORS F. Hoffmann-Roche AG (CH) 2010-01-06 — — EP disclosed
US-7517873-B2 Substituted pyrimidodiazepines HOFFMAN-LA ROCHE INC. (US) 2009-04-14 — — US disclosed
WO-2008113711-A1 SUBSTITUTED PYRIMIDODIAZEPINES USEFUL AS PLK1 INHIBITORS F. HOFFMANN-LA ROCHE AG (CH) 2008-09-25 — — WO disclosed
US-20080234255-A1 SUBSTITUTED PYRIMIDODIAZEPINES TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2008-09-25 — — US 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-20080234255-A1 SUBSTITUTED PYRIMIDODIAZEPINES PLK1, CCNI, CDK1 CRBN 2706/4885DDB1 983/4885TYRO3 2629/4885

“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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