SCHEMBL16265157

SCHEMBL16265157

FC(F)c1ccccc1-c1ccc2nccn2n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ DYRK1A Q13627 2/20 0.49
▸ KDR P35968 8/20 0.47
▸ CLK4 Q9HAZ1 3/20 0.47
▸ MAPK14 Q16539 2/20 0.47
▸ JAK2 O60674 2/20 0.47
▸ RET P07949 2/20 0.47
▸ GSK3A P49840 2/20 0.47
▸ RPS6KA3 P51812 2/20 0.47
▸ LIMK1 P53667 2/20 0.47
▸ MAP2K1 Q02750 2/20 0.47
▸ ALK Q9UM73 2/20 0.47
▸ DYRK1B Q9Y463 2/20 0.47
▸ PRKCI P41743 1/20 0.46
▸ MAP4K4 O95819 2/20 0.44
▸ PRKACA P17612 2/20 0.44
▸ CDK8 P49336 2/20 0.44
▸ LRRK2 Q5S007 2/20 0.44
▸ AURKA O14965 1/20 0.42
▸ DAPK3 O43293 1/20 0.42
▸ ABL1 P00519 1/20 0.42

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
SCHEMBL21412044 0.78 DYRK1A (0.54) DYRK1AKDRCLK4MAPK14JAK2
Hydrochloric Acid SCHEMBL21411934 0.77 DYRK1A (0.53) DYRK1AKDRCLK4MAPK14JAK2
SCHEMBL16265136 0.77 DYRK1A (0.49) DYRK1AKDRCLK4MAPK14JAK2
SCHEMBL360789 0.74 DYRK1A (0.77) DYRK1AKDRCLK4MAPK14JAK2
SCHEMBL15637559 0.73 DYRK1A (0.51) DYRK1AKDRCLK4MAPK14JAK2
SCHEMBL21193347 0.71 DYRK1A (0.47) DYRK1AKDRCLK4MAPK14JAK2
SCHEMBL16265141 0.69 FYN (0.41) TGFBR1TGFBR2
SCHEMBL14881618 0.67 TGFBR1 (0.63) TGFBR1TGFBR2
SCHEMBL21076234 0.67 DYRK1A (0.60) DYRK1AKDRCLK4MAPK14JAK2
SCHEMBL15640019 0.66 TGFBR1 (0.44) DYRK1AKDRCLK4MAPK14JAK2

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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180186801-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2018-07-05 — — US disclosed
US-9957271-B2 Substituted bicyclic aza-heterocycles and analogues as sirtuin modulators GLAXOSMITHKLINE LLC (US) 2018-05-01 — — US disclosed
US-20140349993-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS GLAXOSMITHKLINE LLC 2014-11-27 — — US 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 (2 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-20140349993-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 DYRK1A 2222/4885KDR 1197/4885CLK4 1839/4885
US-20180186801-A1 SUBSTITUTED BICYCLIC AZA-HETEROCYCLES AND ANALOGUES AS SIRTUIN MODULATORS SIRT1, SIRT3, SIRT2 DYRK1A 2222/4885KDR 1197/4885CLK4 1839/4885

“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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