SCHEMBL3915748

SCHEMBL3915748

O=c1c(-c2ccc(OCc3ccccc3)c(F)c2)cncn1Cc1ccccc1.[Pd].c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1.c1ccc(P(c2ccccc2)c2ccccc2)cc1

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
GRK2 P25098 5/20 0.41
S1PR5 Q9H228 1/20 0.40
MAPK14 Q16539 7/20 0.39
GRK1 Q15835 2/20 0.39
ERN1 O75460 1/20 0.38
PTPN2 P17706 1/20 0.37
PTPN1 P18031 1/20 0.37
ACP1 P24666 1/20 0.37
GRK5 P34947 1/20 0.37
MET P08581 1/20 0.37
HGF P14210 1/20 0.37
MST1R Q04912 1/20 0.37
FEN1 P39748 1/20 0.36
CTSA P10619 1/20 0.36
APP P05067 1/20 0.36
IDO1 P14902 1/20 0.36
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36

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
SCHEMBL3915575 0.94 GRK2 (0.45) GRK2S1PR5MAPK14GRK1ERN1
SCHEMBL3917605 0.90 CYP11B1 (0.47) GRK2S1PR5MAPK14GRK1PTPN2
SCHEMBL3105830 0.89 CYP11B1 (0.44) GRK2S1PR5MAPK14GRK1PTPN2
SCHEMBL3912908 0.89 MAPK14 (0.43) GRK2S1PR5MAPK14GRK1ERN1
SCHEMBL3916324 0.88 SMN1; SMN2 (0.44) GRK2S1PR5MAPK14CTSA
SCHEMBL3913900 0.87 RXRA (0.43) GRK2S1PR5MAPK14GRK1PTPN2
SCHEMBL3923475 0.87 S1PR5 (0.47) GRK2S1PR5MAPK14GRK1PTPN2
SCHEMBL3914313 0.86 S1PR5 (0.41) GRK2S1PR5MAPK14GRK1ERN1
SCHEMBL3923436 0.86 S1PR5 (0.42) GRK2S1PR5MAPK14ERN1PTPN2
SCHEMBL3922800 0.86 MRGPRX4 (0.40) GRK2S1PR5MAPK14GRK1ERN1

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 GRK2 173/4885S1PR5 2995/4885MAPK14 297/4885

“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.