SCHEMBL5237257

SCHEMBL5237257

O=C1Nc2ccccc2CN1c1nc(-c2ccccn2)cs1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK5 Q00535 7/20 1.00
▸ CDK5R1 Q15078 7/20 1.00
▸ AR P10275 1/20 0.48
▸ ADAMTS5 Q9UNA0 1/20 0.43
▸ CYP19A1 P11511 1/20 0.41
▸ BRD4 O60885 1/20 0.40
▸ CREBBP Q92793 1/20 0.40
▸ RAB9A P51151 3/20 0.39
▸ MAPT P10636 3/20 0.39
▸ NPC1 O15118 2/20 0.39
▸ LMNA P02545 2/20 0.39
▸ TP53 P04637 1/20 0.39
▸ MAPK1 P28482 1/20 0.39
▸ HTT P42858 1/20 0.39
▸ ALDH1A1 P00352 1/20 0.39
▸ HPGD P15428 1/20 0.39
▸ KDM4E B2RXH2 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ SMN1; SMN2 Q16637 2/20 0.39
▸ MEN1 O00255 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 0.84 CDK5 (1.00) CDK5CDK5R1ARBRD4CREBBP
SCHEMBL5237540 0.81 CDK5 (1.00) CDK5CDK5R1CYP19A1RAB9AMAPT
SCHEMBL5234501 0.80 CDK5 (0.79) CDK5CDK5R1ARRAB9AMAPT
SCHEMBL5232410 0.77 CDK5 (0.71) CDK5CDK5R1ARRAB9AMAPT
SCHEMBL5239792 0.77 CDK5 (0.74) CDK5CDK5R1ARRAB9AMAPT
SCHEMBL5238093 0.77 CDK5 (0.71) CDK5CDK5R1ARRAB9AMAPT
SCHEMBL6224445 0.77 CDK5 (0.62) CDK5CDK5R1ARBRD4CREBBP
SCHEMBL5235058 0.74 CDK5 (0.60) CDK5CDK5R1ARCYP19A1RAB9A
SCHEMBL5234284 0.73 CDK5 (0.59) CDK5CDK5R1ARRAB9AMAPT
SCHEMBL5238812 0.69 CDK5 (1.00) CDK5CDK5R1CYP19A1BRD4CREBBP

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 252/4885AR 3642/4885

“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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