SCHEMBL15565679

SCHEMBL15565679

Cc1nc2cnc(C(N)=O)cc2nc1C

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
LCK P06239 1/20 0.42
SIRT6 Q8N6T7 2/20 0.41
TDP1 Q9NUW8 1/20 0.41
LMNA P02545 2/20 0.38
TGFBR1 P36897 2/20 0.37
ADORA3 P0DMS8 1/20 0.37
TSHR P16473 1/20 0.37
MC4R P32245 1/20 0.37
ADRA1A P35348 1/20 0.37
MC3R P41968 1/20 0.37
KDM4E B2RXH2 1/20 0.36
KMT2A Q03164 1/20 0.36
GRM2 Q14416 3/20 0.36
PARP1 P09874 1/20 0.35
APP P05067 1/20 0.35

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
SCHEMBL30625387 0.74 NOS3 (0.48) LCKSIRT6TDP1LMNAADORA3
SCHEMBL16447402 0.74 LCK (0.40) LCKSIRT6LMNAADORA3TSHR
SCHEMBL5173369 0.73 LCK (0.56) LCKSIRT6LMNAADORA3TSHR
SCHEMBL2235915 0.73 HSP90AA1 (0.43) LCKSIRT6TDP1KDM4EPARP1
SCHEMBL7581332 0.72 SIRT6 (0.46) LCKSIRT6TDP1LMNATGFBR1
SCHEMBL30441778 0.72 SIRT6 (0.46) LCKSIRT6TDP1LMNATGFBR1
SCHEMBL19691194 0.71 LCK (0.44) LCKSIRT6LMNATGFBR1ADORA3
SCHEMBL17439544 0.71 LCK (0.41) LCKSIRT6LMNATGFBR1ADORA3
SCHEMBL24154374 0.70 NOS3 (0.48) TDP1LMNAKDM4EKMT2A
SCHEMBL20652740 0.69 SIRT6 (0.43) LCKSIRT6TDP1LMNAADORA3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9487526-B2 Quinoxaline derivatives as GPR6 modulators TAKEDA PHARMACEUTICAL COMPANY LIMITED (JP) 2016-11-08 US disclosed
US-20150232469-A1 QUINOXALINE DERIVATIVES AS GPR6 MODULATORS ENVOY THERAPEUTICS, INC. 2015-08-20 US disclosed
EP-2882722-A1 QUINOXALINE DERIVATIVES AS GPR6 MODULATORS Envoy Therapeutics Inc. (US) 2015-06-17 EP disclosed
WO-2014028479-A1 QUINOXALINE DERIVATIVES AS GPR6 MODULATORS ENVOY THERAPEUTICS, INC. (US) 2014-02-20 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-20150232469-A1 QUINOXALINE DERIVATIVES AS GPR6 MODULATORS GPR6, GRM6, GPR65 LCK 3301/4885SIRT6 104/4885TDP1 3457/4885

“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.