SCHEMBL5238143

SCHEMBL5238143

O=C1Nc2cccc(OCCN3CCOCC3)c2CN1c1nc(-c2ccncc2)ns1

nearest known ligand 0.55

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ CDK5 Q00535 9/20 0.55
▸ CDK5R1 Q15078 9/20 0.55
▸ ROCK1 Q13464 2/20 0.41
▸ ROCK2 O75116 1/20 0.41
▸ TIPARP Q7Z3E1 1/20 0.40
▸ MTOR P42345 1/20 0.40
▸ CHEK1 O14757 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.38
▸ MAOB P27338 1/20 0.37
▸ CHRM4 P08173 1/20 0.37

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
SCHEMBL5235432 0.82 CDK5 (0.61) CDK5CDK5R1
SCHEMBL14608812 0.74 CDK5 (0.60) CDK5CDK5R1
SCHEMBL5238812 0.72 CDK5 (1.00) CDK5CDK5R1
SCHEMBL5233908 0.71 ROCK1 (0.42) ROCK1ROCK2MTORKDM4ECHRM4
SCHEMBL5235092 0.66 CDK5 (1.00) CDK5CDK5R1
SCHEMBL5265822 0.63 CDK5 (0.54) CDK5CDK5R1
SCHEMBL1601864 0.63 KIT (0.50) ROCK1ROCK2MTORKDM4E
SCHEMBL30726450 0.62 DRD1 (0.56) KDM4EMAOB
SCHEMBL1100987 0.61 PIK3CD (0.53) KDM4E
SCHEMBL5234594 0.61 CDK5 (1.00) CDK5CDK5R1

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 5 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
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 252/4885ROCK1 702/4885

“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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