SCHEMBL16331663

SCHEMBL16331663

Cn1c(-c2ccsc2)cc2c(Nc3ccncn3)nccc21

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ FYN P06241 5/20 0.41
▸ MKNK2 Q9HBH9 1/20 0.37
▸ CYP1A2 P05177 1/20 0.35
▸ CYP3A4 P08684 1/20 0.35
▸ CYP2C9 P11712 1/20 0.35
▸ CYP2C19 P33261 1/20 0.35
▸ CCNA2 P20248 3/20 0.33
▸ CDK2 P24941 3/20 0.33
▸ CCNA1 P78396 3/20 0.33
▸ PIK3C3 Q8NEB9 2/20 0.33
▸ PIP4K2C Q8TBX8 1/20 0.33
▸ HRH4 Q9H3N8 1/20 0.33
▸ CDK5 Q00535 2/20 0.32
▸ DYRK1A Q13627 2/20 0.32
▸ CDK5R1 Q15078 2/20 0.32
▸ MAPKAPK2 P49137 2/20 0.32
▸ TGFBR1 P36897 1/20 0.31
▸ TGFBR2 P37173 1/20 0.31
▸ KDR P35968 1/20 0.31
▸ JAK2 O60674 1/20 0.31

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
SCHEMBL16332400 0.86 CTSC (0.42) FYNCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL16332075 0.85 FYN (0.40) FYNCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL16332442 0.80 FYN (0.41) FYNCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL16332162 0.80 FYN (0.42) FYNCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL16331435 0.80 FYN (0.49) FYNMKNK2CYP1A2CYP3A4CYP2C9
SCHEMBL16332052 0.79 FYN (0.39) FYNCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL16373693 0.77 FYN (0.46) FYNCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL16331804 0.77 NPC1 (0.50) FYNCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL16373491 0.77 FYN (0.46) FYNCYP1A2CYP3A4CYP2C9CYP2C19
SCHEMBL16331293 0.77 ABCG2 (0.37) FYNCYP2C9CYP2C19MAPKAPK2

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-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
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 574/4885MKNK2 29/4885CYP1A2 4066/4885

“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.

Send feedback