SCHEMBL5238014

SCHEMBL5238014

CN(C)CCN(C)c1ccc2c(c1)CN(c1nc(-c3ccncc3)cs1)C(=O)N2

nearest known ligand 0.61

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CDK5 Q00535 14/20 0.61
▸ CDK5R1 Q15078 14/20 0.61
▸ HTR1A P08908 1/20 0.38
▸ DRD2 P14416 1/20 0.38
▸ HTR7 P34969 1/20 0.38
▸ OPRM1 P35372 1/20 0.36
▸ OPRL1 P41146 1/20 0.36
▸ PRKACA P17612 1/20 0.35
▸ ROCK1 Q13464 1/20 0.35
▸ AR P10275 1/20 0.34
▸ MAPK1 P28482 1/20 0.34
▸ ALDH1A1 P00352 1/20 0.34
▸ POLB P06746 1/20 0.34
▸ MAPT P10636 1/20 0.34
▸ HTT P42858 1/20 0.34
▸ SMN1; SMN2 Q16637 1/20 0.34

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
SCHEMBL5238052 0.77 CDK5 (1.00) CDK5CDK5R1ARMAPTSMN1; SMN2
SCHEMBL5234990 0.76 CDK5 (0.70) CDK5CDK5R1PRKACAROCK1AR
SCHEMBL5236346 0.75 CDK5 (0.66) CDK5CDK5R1PRKACAROCK1AR
SCHEMBL5235373 0.72 CDK5 (0.58) CDK5CDK5R1PRKACAROCK1AR
SCHEMBL5237540 0.68 CDK5 (1.00) CDK5CDK5R1ALDH1A1MAPTSMN1; SMN2
SCHEMBL5236891 0.67 CDK5 (0.69) CDK5CDK5R1PRKACAROCK1AR
SCHEMBL5235620 0.67 CDK5 (0.69) CDK5CDK5R1PRKACAROCK1AR
SCHEMBL5234501 0.66 CDK5 (0.79) CDK5CDK5R1OPRM1OPRL1AR
SCHEMBL5239792 0.66 CDK5 (0.74) CDK5CDK5R1ARMAPK1ALDH1A1
SCHEMBL5238093 0.64 CDK5 (0.71) CDK5CDK5R1ARMAPK1ALDH1A1

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-1507776-B1 2-OXO-1,3,4-TRIHYDROQUINAZOLINYL DERIVATIVES FOR THE TREATMENT OF CELL PROLIFERATION-RELATED DISORDERS AMGEN INC (US) 2007-02-28 — — EP disclosed
EP-1507776-B1 2-OXO-1,3,4-TRIHYDROQUINAZOLINYL DERIVATIVES FOR THE TREATMENT OF CELL PROLIFERATION-RELATED DISORDERS AMGEN INC (US) 2007-02-28 — — EP disclosed
US-7119111-B2 2-oxo-1,3,4-trihydroquinazolinyl derivatives and methods of use AMGEN, INC. (US) 2006-10-10 — — US disclosed
EP-1507776-A1 2-OXO-1,3,4-TRIHYDROQUINAZOLINYL DERIVATIVES FOR THE TREATMENT OF CELL PROLIFERATION-RELATED DISORDERS Amgen Inc. (US) 2005-02-23 — — EP disclosed
US-20030229068-A1 2-oxo-1,3,4-trihydroquinazolinyl derivatives and methods of use AMGEN INC. 2003-12-11 — — US disclosed
WO-2003101985-A1 2-OXO-1,3,4-TRIHYDROQUINAZOLINYL DERIVATIVES FOR THE TREATMENT OF CELL PROLIFERATION-RELATED DISORDERS AMGEN INC. (US) 2003-12-11 — — WO 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-20030229068-A1 2-oxo-1,3,4-trihydroquinazolinyl derivatives and methods of use CASP3, BAX, BAD CDK5 88/4885CDK5R1 252/4885HTR1A 2448/4885

“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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