SCHEMBL16331835

SCHEMBL16331835

c1ccc(Cn2c(-c3cccnc3)cc3cnc(Nc4ccccn4)cc32)cc1

nearest known ligand 0.81

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ FYN P06241 3/20 0.81
▸ LYN P07948 10/20 0.55
▸ BTK Q06187 9/20 0.55
▸ SRC P12931 8/20 0.55
▸ CYP11B2 P19099 1/20 0.45
▸ NPC1 O15118 1/20 0.42
▸ TP53 P04637 1/20 0.42
▸ RAB9A P51151 1/20 0.42
▸ SMN1; SMN2 Q16637 1/20 0.42
▸ TDP1 Q9NUW8 1/20 0.42
▸ CYP2E1 P05181 1/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ CYP2D6 P10635 1/20 0.41
▸ CYP2A6 P11509 1/20 0.41
▸ CYP2C9 P11712 1/20 0.41
▸ CYP2B6 P20813 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ ABL1 P00519 1/20 0.40

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
SCHEMBL30521700 0.90 FYN (1.00) FYNLYNBTKSRCCYP11B2
SCHEMBL16331720 0.90 FYN (1.00) FYNLYNBTKSRCCYP11B2
SCHEMBL16332064 0.83 FYN (0.88) FYNLYNBTKSRC
SCHEMBL12492572 0.82 FYN (0.70) FYNLYNBTKSRCCYP11B2
SCHEMBL12492640 0.81 FYN (0.66) FYN
SCHEMBL27950283 0.81 FYN (0.67) FYNLYNBTKSRC
SCHEMBL12492915 0.80 FYN (0.83) FYNLYNSRC
SCHEMBL12492556 0.80 FYN (0.64) FYNLYNBTKSRCCYP11B2
SCHEMBL30521916 0.79 FYN (1.00) FYNBTKSRC
SCHEMBL18613214 0.79 FYN (1.00) FYNBTKSRC

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 574/4885LYN 762/4885BTK 941/4885

“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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