SCHEMBL5238093

SCHEMBL5238093

O=C1Nc2ccccc2CN1c1nc(-c2ccc(F)c(F)c2)cs1

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CDK5 Q00535 10/20 0.71
▸ CDK5R1 Q15078 10/20 0.71
▸ STAT1 P42224 1/20 0.43
▸ RAB9A P51151 5/20 0.42
▸ ALDH1A1 P00352 3/20 0.42
▸ KDM4E B2RXH2 2/20 0.42
▸ MAPK1 P28482 1/20 0.42
▸ MAPT P10636 3/20 0.41
▸ POLB P06746 1/20 0.41
▸ HTT P42858 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ AR P10275 1/20 0.40
▸ MEN1 O00255 2/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ CYP1A2 P05177 1/20 0.39
▸ CYP2D6 P10635 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ NPC1 O15118 3/20 0.39
▸ MMP12 P39900 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
SCHEMBL5232410 0.85 CDK5 (0.71) CDK5CDK5R1RAB9AALDH1A1KDM4E
SCHEMBL5234501 0.83 CDK5 (0.79) CDK5CDK5R1RAB9AALDH1A1MAPT
SCHEMBL5238052 0.83 CDK5 (1.00) CDK5CDK5R1RAB9AMAPTSMN1; SMN2
SCHEMBL5239792 0.80 CDK5 (0.74) CDK5CDK5R1STAT1RAB9AALDH1A1
SCHEMBL5237540 0.80 CDK5 (1.00) CDK5CDK5R1RAB9AALDH1A1KDM4E
SCHEMBL5237257 0.77 CDK5 (1.00) CDK5CDK5R1RAB9AALDH1A1KDM4E
SCHEMBL5235058 0.73 CDK5 (0.60) CDK5CDK5R1RAB9AMAPTSMN1; SMN2
SCHEMBL5236891 0.72 CDK5 (0.69) CDK5CDK5R1RAB9AMAPTSMN1; SMN2
SCHEMBL5234284 0.72 CDK5 (0.59) CDK5CDK5R1RAB9AALDH1A1KDM4E
SCHEMBL6224445 0.72 CDK5 (0.62) CDK5CDK5R1SMN1; SMN2ARKMT2A

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 252/4885STAT1 2293/4885

“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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