SCHEMBL16331728

SCHEMBL16331728

Cn1c(-c2ccsc2)cc2c(Nc3ccc(S(C)(=O)=O)cc3)nccc21

nearest known ligand 0.45

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
▸ TGFBR1 P36897 1/20 0.45
▸ PIP4K2A P48426 13/20 0.45
▸ PIP4K2C Q8TBX8 13/20 0.45
▸ PIP4K2B P78356 3/20 0.41
▸ IKBKB O14920 1/20 0.41
▸ MAP4K4 O95819 1/20 0.38
▸ PTGS2 P35354 1/20 0.38

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
SCHEMBL16331336 0.89 FYN (0.42) TGFBR1PIP4K2APIP4K2CMAP4K4
SCHEMBL16332052 0.85 FYN (0.39) —
SCHEMBL16332075 0.85 FYN (0.40) TGFBR1PIP4K2APIP4K2CMAP4K4
SCHEMBL16331999 0.84 CTSC (0.44) PIP4K2A
SCHEMBL16331804 0.83 NPC1 (0.50) —
SCHEMBL16332258 0.83 FYN (0.51) —
SCHEMBL16331293 0.82 ABCG2 (0.37) —
SCHEMBL16332860 0.82 KDM1A (0.49) PIP4K2APIP4K2CPIP4K2BMAP4K4PTGS2
SCHEMBL16332162 0.80 FYN (0.42) MAP4K4
SCHEMBL16332015 0.80 FYN (0.48) —

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 TGFBR1 2786/4885PIP4K2A 257/4885PIP4K2C 290/4885

“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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