SCHEMBL16331293

SCHEMBL16331293

Cn1c(-c2ccsc2)cc2c(Nc3ccc(C#N)cc3)nccc21

nearest known ligand 0.37

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ABCG2 Q9UNQ0 5/20 0.37
▸ FYN P06241 1/20 0.37
▸ MAPKAPK2 P49137 3/20 0.37
▸ LRRK2 Q5S007 2/20 0.35
▸ TNIK Q9UKE5 1/20 0.35
▸ LCK P06239 1/20 0.35
▸ BRAF P15056 1/20 0.35
▸ TEK Q02763 1/20 0.35
▸ BCL6 P41182 1/20 0.35
▸ CYP2C9 P11712 1/20 0.34
▸ CYP2C19 P33261 1/20 0.34
▸ KDM4E B2RXH2 1/20 0.34
▸ CLK1 P49759 1/20 0.34
▸ PIK3CA P42336 1/20 0.33
▸ PRKDC P78527 1/20 0.33
▸ TTBK1 Q5TCY1 1/20 0.33
▸ TTBK2 Q6IQ55 1/20 0.33

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
SCHEMBL16332052 0.86 FYN (0.39) ABCG2FYNMAPKAPK2LCKBRAF
SCHEMBL16332075 0.86 FYN (0.40) FYNMAPKAPK2CYP2C9CYP2C19
SCHEMBL16331804 0.84 NPC1 (0.50) FYNMAPKAPK2LCKCYP2C9CYP2C19
SCHEMBL16331728 0.82 TGFBR1 (0.45) —
SCHEMBL16331999 0.82 CTSC (0.44) FYNCYP2C9CYP2C19KDM4E
SCHEMBL16332162 0.81 FYN (0.42) FYNCYP2C9CYP2C19
SCHEMBL16332015 0.80 FYN (0.48) ABCG2FYNLCKKDM4ECLK1
SCHEMBL16373693 0.80 FYN (0.46) FYNMAPKAPK2BRAFCYP2C9CYP2C19
SCHEMBL16373491 0.80 FYN (0.46) FYNCYP2C9CYP2C19KDM4E
SCHEMBL16331528 0.80 CYP2A6 (0.44) FYNPIK3CA

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 ABCG2 3229/4885FYN 574/4885MAPKAPK2 32/4885

“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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