SCHEMBL17007682

SCHEMBL17007682

Clc1nc2ccccc2nc1Nc1ccncc1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 7/20 0.51
LMNA P02545 5/20 0.51
MEN1 O00255 4/20 0.51
KMT2A Q03164 4/20 0.51
CYP1A2 P05177 4/20 0.51
CYP3A4 P08684 4/20 0.51
CYP2D6 P10635 3/20 0.51
CYP2C19 P33261 3/20 0.51
CLK4 Q9HAZ1 2/20 0.51
CYP2C9 P11712 2/20 0.51
USP2 O75604 1/20 0.51
TGFBR1 P36897 4/20 0.50
MAPK14 Q16539 2/20 0.50
MAPT P10636 4/20 0.49
NPSR1 Q6W5P4 3/20 0.49
POLB P06746 3/20 0.49
HTT P42858 2/20 0.49
GAA P10253 1/20 0.49
RECQL P46063 1/20 0.49
TDP1 Q9NUW8 1/20 0.48

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
SCHEMBL18323559 0.87 TDP1 (0.54) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL15567094 0.81 LCK (0.55) ALDH1A1LMNAMEN1KMT2ACYP1A2
SCHEMBL23853641 0.81 RXFP1 (0.57) ALDH1A1LMNAMEN1KMT2ACYP1A2
SCHEMBL28133586 0.80 MEN1 (0.55) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL17432139 0.79 MEN1 (0.54) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL17432144 0.77 MAPT (0.47) ALDH1A1LMNAMEN1KMT2AMAPT
SCHEMBL15566560 0.77 TGFBR1 (0.47) ALDH1A1LMNAMEN1KMT2ACLK4
SCHEMBL2243901 0.76 MEN1 (0.58) ALDH1A1LMNAMEN1KMT2ACYP1A2
SCHEMBL3121675 0.75 ALDH1A1 (0.66) ALDH1A1LMNAMEN1KMT2ACYP1A2
SCHEMBL7690529 0.74 TGFBR1 (0.49) ALDH1A1LMNAMEN1KMT2ACYP1A2

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9770452-B2 Quinoxaline derivatives as GPR6 modulators TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2017-09-26 US disclosed
US-20170035775-A1 QUINOXALINE DERIVATIVES AS GPR6 MODULATORS ENVOY THERAPEUTICS, INC. 2017-02-09 US disclosed
US-9487526-B2 Quinoxaline derivatives as GPR6 modulators TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-11-08 US disclosed
EP-2882722-B1 QUINOXALINE DERIVATIVES AS GPR6 MODULATORS TAKEDA PHARMACEUTICAL (JP) 2016-07-27 EP disclosed
US-20150232469-A1 QUINOXALINE DERIVATIVES AS GPR6 MODULATORS ENVOY THERAPEUTICS, INC. 2015-08-20 US 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 (2 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-20150232469-A1 QUINOXALINE DERIVATIVES AS GPR6 MODULATORS GPR6, GRM6, GPR65 ALDH1A1 1308/4885LMNA 4739/4885MEN1 4585/4885
US-20170035775-A1 QUINOXALINE DERIVATIVES AS GPR6 MODULATORS GPR6, GRM6, GPR65 ALDH1A1 1308/4885LMNA 4739/4885MEN1 4585/4885

“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.