SCHEMBL5269023

SCHEMBL5269023

O=c1[nH]c(C2CCc3ccccc3N2)nc2ccccc12

nearest known ligand 0.54

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
PARP1 P09874 7/20 0.43
TNKS2 Q9H2K2 3/20 0.42
QTRT1 Q9BXR0 1/20 0.42
TNKS O95271 1/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 1/20 0.41
HSD17B10 Q99714 1/20 0.41
HTR3A P46098 1/20 0.40
ROCK2 O75116 1/20 0.40
PKM P14618 2/20 0.40
HPGD P15428 1/20 0.39
KMT2A Q03164 1/20 0.39

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
SCHEMBL10758515 0.75 AR (0.35) KMT2A
SCHEMBL16404341 0.74 PARP1 (0.62) PARP1TNKS2QTRT1TNKSALDH1A1
SCHEMBL4558816 0.72 CDC7 (0.47) PARP1TNKS2QTRT1TNKSKDM4E
SCHEMBL28507693 0.72 PARP1 (0.56) PARP1TNKS2QTRT1TNKSALDH1A1
SCHEMBL28501122 0.72 PARP1 (0.58) PARP1TNKS2QTRT1TNKSKDM4E
SCHEMBL12459009 0.71 CDC7 (0.67)
SCHEMBL29499006 0.71 PARP1 (0.55) PARP1TNKS2QTRT1TNKS
SCHEMBL30496105 0.70 PARP1 (0.54) PARP1TNKS2QTRT1TNKSROCK2
SCHEMBL7713954 0.70 PARP1 (0.54) PARP1TNKS2QTRT1TNKSROCK2
SCHEMBL5051433 0.69 ESR1 (0.51) KDM4EKMT2A

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 3 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
US-20030229068-A1 2-oxo-1,3,4-trihydroquinazolinyl derivatives and methods of use AMGEN INC. 2003-12-11 US 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 PARP1 350/4885TNKS2 284/4885QTRT1 825/4885

“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.