SCHEMBL3914528

SCHEMBL3914528

COc1cc(C(=O)c2ccccc2)c(Br)cn1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 3/20 0.49
CYP1A2 P05177 2/20 0.49
CYP2D6 P10635 2/20 0.49
CYP2C19 P33261 2/20 0.49
MAPT P10636 4/20 0.46
HTT P42858 4/20 0.46
LMNA P02545 3/20 0.46
MAPK1 P28482 2/20 0.46
KDM4E B2RXH2 2/20 0.46
HSD17B10 Q99714 2/20 0.46
ALDH1A1 P00352 2/20 0.46
PGR P06401 1/20 0.46
SLC6A2 P23975 1/20 0.46
PDE4A P27815 1/20 0.46
HRH1 P35367 1/20 0.46
SLC6A3 Q01959 1/20 0.46
PDE4D Q08499 1/20 0.46
CYP3A4 P08684 1/20 0.46
RECQL P46063 1/20 0.46
ALOX15 P16050 2/20 0.43

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
SCHEMBL14916430 0.81 LCK (0.53) HPGDMAPTLMNAKDM4EHSD17B10
SCHEMBL16701908 0.78 NNMT (0.47) HPGDCYP1A2MAPTHTTMAPK1
SCHEMBL9261247 0.78 KDM4E (0.46) HPGDCYP1A2CYP2D6CYP2C19HTT
SCHEMBL16475201 0.76 L3MBTL1 (0.49) HPGDCYP1A2CYP2C19MAPTHTT
Nitrous Acid SCHEMBL28822719 0.76 LCK (0.47) HPGDMAPTLMNAKDM4EHSD17B10
SCHEMBL11008513 0.75 LCK (0.64) HPGDCYP1A2CYP2D6CYP2C19MAPT
SCHEMBL28469120 0.75 MAPT (0.47) HPGDCYP1A2CYP2D6CYP2C19MAPT
SCHEMBL2945284 0.72 CYP1A2 (0.71) HPGDCYP1A2CYP2D6CYP2C19MAPT
SCHEMBL6378445 0.72 KCNK3 (0.53) HPGDCYP1A2CYP2D6CYP2C19MAPT
SCHEMBL20522604 0.72 NNMT (0.45) HPGDKDM4EALDH1A1NNMTMEN1

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
US-20110053931-A1 QUINOLINE COMPOUNDS AND METHODS OF USE GAUDINO JOHN 2011-03-03 US disclosed
EP-2032538-A2 QUINOLINE COMPOUNDS AND METHODS OF USE Array Biopharma, Inc. (US) 2009-03-11 EP disclosed
WO-2007146824-A2 QUINOLINE COMPOUNDS AND METHODS OF USE ARRAY BIOPHARMA INC. (US) 2007-12-21 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-20110053931-A1 QUINOLINE COMPOUNDS AND METHODS OF USE TK1, ABL1, ROR1 HPGD 469/4885CYP1A2 161/4885CYP2D6 361/4885

“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.