SCHEMBL16332191

SCHEMBL16332191

CN(C)c1ccc(-c2cc3cnc(Nc4ccncn4)cc3n2Cc2ccccc2)cc1

nearest known ligand 0.73

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FYN P06241 5/20 0.73
▸ BTK Q06187 8/20 0.55
▸ SRC P12931 8/20 0.55
▸ LYN P07948 7/20 0.55
▸ ALDH1A1 P00352 5/20 0.42
▸ KDM4E B2RXH2 4/20 0.39
▸ CYP1A2 P05177 4/20 0.39
▸ CYP3A4 P08684 4/20 0.39
▸ MAPT P10636 4/20 0.39
▸ HPGD P15428 4/20 0.39
▸ HSD17B10 Q99714 4/20 0.39
▸ TP53 P04637 3/20 0.39
▸ SMN1; SMN2 Q16637 3/20 0.39
▸ CYP2C19 P33261 3/20 0.39
▸ MAPK1 P28482 2/20 0.39
▸ CYP2D6 P10635 2/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39
▸ HIF1A Q16665 1/20 0.39
▸ TDP1 Q9NUW8 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
SCHEMBL16332064 0.90 FYN (0.88) FYNBTKSRCLYN
SCHEMBL16332522 0.87 FYN (0.68) FYNBTKSRCLYNALDH1A1
SCHEMBL30521700 0.85 FYN (1.00) FYNBTKSRCLYNALDH1A1
SCHEMBL16331720 0.85 FYN (1.00) FYNBTKSRCLYNALDH1A1
SCHEMBL16332466 0.81 FYN (0.54) FYNBTKSRCLYNALDH1A1
SCHEMBL16331835 0.75 FYN (0.81) FYNBTKSRCLYNCYP3A4
SCHEMBL16332744 0.73 FYN (0.51) FYNBTKSRCLYNALDH1A1
SCHEMBL17555243 0.72 FYN (0.55) FYNBTKSRCLYNMAPK1
SCHEMBL16964118 0.71 BTK (1.00) BTKSRCLYN
SCHEMBL16332159 0.69 FYN (0.56) FYNBTKSRCALDH1A1KDM4E

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 6 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 claimed
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 claimed
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
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
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

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 FYN 574/4885BTK 941/4885SRC 811/4885

“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.

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