SCHEMBL5269016

SCHEMBL5269016

O=c1[nH]c(N2CCCc3ccccc32)nc2ccccc12

nearest known ligand 0.56

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 2/20 0.56
HPGD P15428 1/20 0.56
MGLL Q99685 7/20 0.56
HTR3A P46098 1/20 0.55
SMN1; SMN2 Q16637 2/20 0.48
LMNA P02545 1/20 0.48
KDM4E B2RXH2 1/20 0.46
HSD17B10 Q99714 1/20 0.46
QTRT1 Q9BXR0 1/20 0.46
STAT3 P40763 1/20 0.45
KMT2A Q03164 1/20 0.45
KDM4C Q9H3R0 1/20 0.45
PARP1 P09874 2/20 0.44
SPR P35270 1/20 0.44
MAPT P10636 1/20 0.44

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
SCHEMBL13363263 0.75 HTR3A (0.76) MGLLHTR3APARP1
SCHEMBL29520225 0.74 HTR3A (0.74) MGLLHTR3APARP1
SCHEMBL20897471 0.73 MGLL (1.00) MGLL
SCHEMBL1018884 0.72 ALDH1A1 (0.53) ALDH1A1HPGDMGLLHTR3ASMN1; SMN2
SCHEMBL30850864 0.71 HTR3A (1.00) ALDH1A1MGLLHTR3AMAPT
SCHEMBL23576917 0.71 TUBB4A (0.69) ALDH1A1SMN1; SMN2LMNAKDM4ESTAT3
SCHEMBL30013860 0.71 TUBB4A (0.69) ALDH1A1SMN1; SMN2LMNAKDM4ESTAT3
SCHEMBL12004307 0.70 CSNK2A1 (0.55) ALDH1A1HPGDMGLLHTR3ASMN1; SMN2
SCHEMBL20897573 0.70 HTR3A (0.72) MGLLHTR3APARP1
SCHEMBL23749976 0.69 PARP1 (0.61) ALDH1A1SMN1; SMN2LMNAKDM4EKMT2A

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 ALDH1A1 271/4885HPGD 24/4885MGLL 3432/4885

“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.