SCHEMBL3912908

SCHEMBL3912908

Cc1ccc(Cn2cncc(-c3ccc(OCc4ccccc4)c(F)c3)c2=O)cc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 5/20 0.43
NPC1 O15118 1/20 0.43
HTT P42858 1/20 0.43
S1PR5 Q9H228 1/20 0.42
GRK2 P25098 3/20 0.41
MRGPRX4 Q96LA9 1/20 0.41
ERN1 O75460 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.39
GRK1 Q15835 1/20 0.39
PTPN2 P17706 1/20 0.39
PTPN1 P18031 1/20 0.39
ACP1 P24666 1/20 0.39
FFAR1 O14842 2/20 0.39
THRB P10828 1/20 0.39
ALDH1A1 P00352 1/20 0.39
RAB9A P51151 1/20 0.39
HPGD P15428 1/20 0.39
ALOX15 P16050 1/20 0.39
TSHR P16473 1/20 0.39
MMP13 P45452 1/20 0.39

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) MAPK14S1PR5GRK2ERN1GRK1
SCHEMBL3917605 0.92 CYP11B1 (0.47) MAPK14S1PR5GRK2SMN1; SMN2GRK1
SCHEMBL3105830 0.91 CYP11B1 (0.44) MAPK14S1PR5GRK2MRGPRX4GRK1
SCHEMBL3911190 0.91 S1PR5 (0.43) MAPK14S1PR5GRK2ERN1FFAR1
SCHEMBL3911319 0.91 SCD (0.43) MAPK14HTTS1PR5GRK2ERN1
SCHEMBL3914313 0.90 S1PR5 (0.41) MAPK14S1PR5GRK2ERN1GRK1
SCHEMBL3913900 0.89 RXRA (0.43) MAPK14S1PR5GRK2GRK1PTPN2
SCHEMBL3923475 0.89 S1PR5 (0.47) MAPK14S1PR5GRK2SMN1; SMN2GRK1
SCHEMBL3915748 0.89 GRK2 (0.41) MAPK14S1PR5GRK2ERN1GRK1
SCHEMBL3916324 0.88 SMN1; SMN2 (0.44) MAPK14S1PR5GRK2MRGPRX4SMN1; SMN2

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 MAPK14 297/4885NPC1 1274/4885HTT 3456/4885

“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.