SCHEMBL4735864

SCHEMBL4735864

COc1ccc(-c2nc3ccccc3c(=O)n2NCc2ccc(Br)cc2)cn1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPSR1 Q6W5P4 5/20 0.58
MAPT P10636 4/20 0.58
CYP1A2 P05177 3/20 0.56
CYP2D6 P10635 3/20 0.56
CYP2C9 P11712 3/20 0.56
CYP2C19 P33261 3/20 0.56
CYP3A4 P08684 2/20 0.56
KMT2A Q03164 2/20 0.55
MEN1 O00255 1/20 0.55
POLB P06746 1/20 0.55
LMNA P02545 7/20 0.53
HTT P42858 3/20 0.53
HPGD P15428 2/20 0.49
GAA P10253 3/20 0.49
SMN1; SMN2 Q16637 2/20 0.49
ALDH1A1 P00352 7/20 0.49
KDM4E B2RXH2 1/20 0.49
TSHR P16473 1/20 0.47
MAPK1 P28482 1/20 0.47
EGFR P00533 1/20 0.45

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
SCHEMBL4240595 0.85 MAPT (0.56) NPSR1MAPTCYP1A2CYP2D6CYP2C9
SCHEMBL4245035 0.83 EGFR (0.62) NPSR1MAPTCYP1A2CYP2D6CYP2C9
SCHEMBL4242039 0.83 NPSR1 (0.66) NPSR1MAPTCYP1A2CYP2D6CYP2C9
SCHEMBL4235803 0.83 KMT2A (0.65) NPSR1MAPTCYP1A2CYP2D6CYP2C9
SCHEMBL4233437 0.82 LMNA (0.75) NPSR1MAPTCYP1A2CYP2D6CYP2C9
SCHEMBL4245003 0.81 NPSR1 (0.69) NPSR1MAPTCYP1A2CYP2D6CYP2C9
SCHEMBL4239837 0.81 KMT2A (0.62) NPSR1MAPTCYP1A2CYP2D6CYP2C9
SCHEMBL4245014 0.81 KMT2A (0.62) NPSR1MAPTCYP1A2CYP2D6CYP2C9
SCHEMBL4246680 0.81 NPSR1 (0.66) NPSR1MAPTCYP1A2CYP2D6CYP2C9
SCHEMBL4244207 0.81 MAPT (0.62) NPSR1MAPTCYP1A2CYP2D6CYP2C9

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
US-20090035306-A1 QUINAZOLINONE MODULATORS OF TGR5 KALYPSYS, INC. (US) 2009-02-05 US disclosed
US-20090035306-A1 QUINAZOLINONE MODULATORS OF TGR5 KALYPSYS, INC. (US) 2009-02-05 US disclosed
WO-2008067219-A2 QUINAZOLINONE MODULATORS OF TGR5 KALYPSYS, INC. (US) 2008-06-05 WO disclosed
WO-2008067219-A2 QUINAZOLINONE MODULATORS OF TGR5 KALYPSYS, INC. (US) 2008-06-05 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-20090035306-A1 QUINAZOLINONE MODULATORS OF TGR5 GRK5, PLAAT5, GPBAR1 NPSR1 981/4885MAPT 4430/4885CYP1A2 1598/4885

“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.