SCHEMBL16373642

SCHEMBL16373642

CNc1cc(-c2ccc(N)cc2)ncn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP1A2 P05177 8/20 0.50
HSD17B10 Q99714 5/20 0.50
CLK4 Q9HAZ1 5/20 0.50
CYP2D6 P10635 3/20 0.50
ALOX15 P16050 2/20 0.50
CYP2C19 P33261 2/20 0.50
CYP3A4 P08684 4/20 0.45
ALDH1A1 P00352 5/20 0.44
MEN1 O00255 3/20 0.44
KMT2A Q03164 3/20 0.44
TSHR P16473 1/20 0.44
HIF1A Q16665 1/20 0.44
ASIC3 Q9UHC3 1/20 0.42
TP53 P04637 4/20 0.41
MAPK1 P28482 2/20 0.41
CYP2C9 P11712 2/20 0.41
USP2 O75604 1/20 0.41
GLA P06280 1/20 0.41
FAAH O00519 2/20 0.41
JAK2 O60674 3/20 0.41

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
SCHEMBL20816287 0.82 CYP1A2 (0.58) CYP1A2HSD17B10CLK4CYP2D6ALOX15
SCHEMBL20816288 0.82 FAAH (0.51) CYP1A2HSD17B10CLK4CYP2D6ALOX15
SCHEMBL20816281 0.81 CYP1A2 (0.62) CYP1A2HSD17B10CLK4CYP2D6ALOX15
SCHEMBL19933675 0.80 ASIC3 (0.54) HSD17B10CYP3A4ALDH1A1MEN1KMT2A
SCHEMBL20816285 0.80 ABL1 (0.55) CYP1A2HSD17B10CLK4CYP2D6ALOX15
SCHEMBL20816292 0.79 ADORA3 (0.56) CYP1A2HSD17B10CLK4CYP2D6ALOX15
SCHEMBL16894166 0.78 ABL1 (0.61) CYP1A2HSD17B10CLK4CYP2D6ALOX15
SCHEMBL18398007 0.78 FAAH (0.54) CYP1A2HSD17B10CLK4CYP2D6ALOX15
Hydrochloric Acid SCHEMBL16894261 0.77 ABL1 (0.59) CYP1A2HSD17B10CLK4CYP2D6ALOX15
SCHEMBL28242965 0.77 CYP1A2 (0.45) CYP1A2HSD17B10CLK4CYP2D6ALOX15

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9458463-B2 Method for treatment of diabetes by a small molecule inhibitor for GRK5 MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2016-10-04 US disclosed
US-9458463-B2 Method for treatment of diabetes by a small molecule inhibitor for GRK5 MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2016-10-04 US disclosed
US-20150079108-A1 KINASES AS TARGETS FOR ANTI-DIABETIC THERAPY MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2015-03-19 US disclosed
US-20150079108-A1 KINASES AS TARGETS FOR ANTI-DIABETIC THERAPY MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2015-03-19 US disclosed
EP-2837626-A1 Indolinone derivatives as GRK5 modulators Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2015-02-18 EP disclosed
EP-2818472-A1 Imidazo[4,5-c]pyridine and pyrrolo[3,2-c]pyridine compounds as G-protein-coupled receptor kinase 5 (GRK5) modulators Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2014-12-31 EP disclosed
EP-2818471-A1 Nitrogen bicyclic compounds as inhibitors for Scyl1 and Grk5 Max-Planck-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2014-12-31 EP disclosed
WO-2014207260-A1 PYRROLO[3,2-C]PYRIDINE COMPOUNDS AS G-PROTEIN-COUPLED RECEPTOR KINASE 5 (GRK5) MODULATORS MAX-PLANCK-Gesellschaft zur Förderung der Wissenschaften e.V. (DE) 2014-12-31 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-20150079108-A1 KINASES AS TARGETS FOR ANTI-DIABETIC THERAPY GCKR, GRK4, GRK5 CYP1A2 4066/4885HSD17B10 1221/4885CLK4 118/4885

“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.