SCHEMBL5234685

SCHEMBL5234685

O=C1Nc2ccccc2CN1c1ccc(-c2ccncc2)s1

nearest known ligand 0.59

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ CDK5 Q00535 17/20 0.59
▸ CDK5R1 Q15078 17/20 0.59
▸ OPRM1 P35372 1/20 0.47
▸ OPRL1 P41146 1/20 0.47
▸ BRD4 O60885 1/20 0.44
▸ CREBBP Q92793 1/20 0.44
▸ PRF1 P14222 1/20 0.38

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 0.74 CDK5 (1.00) CDK5CDK5R1BRD4CREBBP
SCHEMBL5235110 0.74 CDK5 (1.00) CDK5CDK5R1
SCHEMBL5238812 0.73 CDK5 (1.00) CDK5CDK5R1BRD4CREBBP
SCHEMBL23119793 0.67 MAPT (0.58) CDK5CDK5R1BRD4CREBBP
SCHEMBL5237540 0.67 CDK5 (1.00) CDK5CDK5R1
SCHEMBL5239868 0.66 CDK5 (0.79) CDK5CDK5R1
SCHEMBL19094080 0.65 OPRL1 (1.00) OPRM1OPRL1
SCHEMBL5237257 0.63 CDK5 (1.00) CDK5CDK5R1BRD4CREBBP
SCHEMBL8406452 0.63 HDAC3 (0.53) PRF1
SCHEMBL8724864 0.63 HDAC3 (0.53) PRF1

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 252/4885OPRM1 3310/4885

“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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