SCHEMBL3921691

SCHEMBL3921691

Cc1ccccc1Cc1ncnc(O)c1C

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 1/20 0.42
USP2 O75604 1/20 0.38
MAPT P10636 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
P2RX7 Q99572 1/20 0.38
CNR2 P34972 1/20 0.38
GPR55 Q9Y2T6 1/20 0.38
TAAR1 Q96RJ0 1/20 0.36
ALDH1A1 P00352 1/20 0.35
HPGD P15428 1/20 0.35
GAA P10253 2/20 0.34
CYP11B1 P15538 1/20 0.34
CYP11B2 P19099 1/20 0.34
TP53 P04637 1/20 0.34
MAPK1 P28482 1/20 0.34
HSD17B10 Q99714 1/20 0.34
LTA4H P09960 1/20 0.34
MAP4K4 O95819 1/20 0.34
HTR2C P28335 1/20 0.34

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
SCHEMBL3921440 0.81 AR (0.41) ARUSP2MAPTMEN1KMT2A
SCHEMBL3914541 0.79 CALM1 (0.39) TAAR1ALDH1A1HPGDMAPK1HTR2C
SCHEMBL3924180 0.74 MAPK1 (0.47) ARMAPTP2RX7ALDH1A1HPGD
SCHEMBL27756402 0.74 AR (0.43) ARUSP2MAPTMEN1KMT2A
SCHEMBL13240510 0.70 HTT (0.47) ARMAPTMEN1KMT2AALDH1A1
SCHEMBL29477327 0.70 TAAR1 (0.56) ARKMT2AP2RX7CNR2GPR55
SCHEMBL2090458 0.70 TAAR1 (0.56) ARKMT2AP2RX7CNR2GPR55
SCHEMBL20543630 0.69 NPC1 (0.44) ARKMT2AP2RX7CYP11B1CYP11B2
SCHEMBL13729826 0.68 HTR6 (0.47) ARUSP2MAPTMEN1KMT2A
SCHEMBL11200954 0.68 TAAR1 (0.54) ARKMT2AP2RX7CNR2GPR55

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 AR 1910/4885USP2 3385/4885MAPT 883/4885

“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.