SCHEMBL5779646

SCHEMBL5779646

O=c1c2ccccc2nc(-c2ccccc2O)n1CCc1ccc(Cl)cc1Cl

nearest known ligand 0.73

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CASR P41180 15/20 0.73
SMN1; SMN2 Q16637 2/20 0.52
CYP1A2 P05177 1/20 0.52
CYP3A4 P08684 1/20 0.52
CYP2D6 P10635 1/20 0.52
CYP2C9 P11712 1/20 0.52
CYP2C19 P33261 1/20 0.52
KDM4E B2RXH2 1/20 0.52
MAPK1 P28482 1/20 0.52
EGFR P00533 1/20 0.49
ABCC1 P33527 1/20 0.49
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL5751098 0.89 CASR (0.73) CASRKDM4EMAPK1ABCC1ALDH1A1
SCHEMBL5779595 0.85 CASR (0.84) CASRSMN1; SMN2ALDH1A1
SCHEMBL5751290 0.84 CASR (1.00) CASR
SCHEMBL5748183 0.83 CASR (0.86) CASREGFR
SCHEMBL5749503 0.82 CASR (0.77) CASRABCC1
SCHEMBL5749558 0.82 CASR (1.00) CASR
SCHEMBL5748099 0.82 CASR (0.73) CASRSMN1; SMN2EGFR
SCHEMBL5750968 0.82 CASR (0.76) CASRKDM4EEGFR
SCHEMBL5795872 0.81 CASR (0.74) CASRKDM4EMAPK1ABCC1ALDH1A1
SCHEMBL5750178 0.81 CASR (1.00) CASR

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 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1558260-A4 QUINAZOLINONE COMPOUNDS AS CALCILYTICS NPS PHARMA INC (US) 2006-10-25 EP disclosed
US-20060052345-A1 Quinazolinone compounds as calcilytics NPS PHARMACEUTICALS, INC. (US) 2006-03-09 US disclosed
EP-1558260-A2 QUINAZOLINONE COMPOUNDS AS CALCILYTICS NPS PHARMACEUTICALS, INC. (US) 2005-08-03 EP disclosed
WO-2004041755-A2 QUINAZOLINONE COMPOUNDS AS CALCILYTICS NPS PHARMACEUTICALS, INC. (US) 2004-05-21 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-20060052345-A1 Quinazolinone compounds as calcilytics CALCR, CALCRL, CASR CASR 3/4885SMN1; SMN2 4811/4885CYP1A2 3531/4885

“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.