SCHEMBL5496119

SCHEMBL5496119

Cc1cccnc1-c1ccc2nc(N)ncc2c1

nearest known ligand 0.66

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LCK P06239 12/20 0.66
▸ KDR P35968 5/20 0.66
▸ JAK3 P52333 1/20 0.66
▸ MAPK14 Q16539 1/20 0.66
▸ KIT P10721 11/20 0.49
▸ SRC P12931 10/20 0.49
▸ CYP2A6 P11509 1/20 0.46
▸ ABL1 P00519 2/20 0.46
▸ PDE1B Q01064 1/20 0.44
▸ PDE4D Q08499 1/20 0.44
▸ PDE7A Q13946 1/20 0.44
▸ PDE3A Q14432 1/20 0.44
▸ PDE10A Q9Y233 1/20 0.44
▸ BACE1 P56817 2/20 0.44
▸ CTSD P07339 1/20 0.44
▸ ADORA2A P29274 1/20 0.43
▸ PIK3C2B O00750 1/20 0.43
▸ BRAF P15056 1/20 0.43
▸ PDGFRA P16234 1/20 0.43

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
SCHEMBL28019341 0.85 LCK (0.78) LCKKDRJAK3MAPK14KIT
SCHEMBL42089 0.82 LCK (0.73) LCKKDRJAK3MAPK14KIT
SCHEMBL15637197 0.81 LCK (0.60) LCKKDRJAK3MAPK14KIT
SCHEMBL28019339 0.81 LCK (0.64) LCKKDRJAK3MAPK14KIT
SCHEMBL15638437 0.81 LCK (0.60) LCKKDRJAK3MAPK14KIT
SCHEMBL5494575 0.79 LCK (1.00) LCKKDRJAK3MAPK14KIT
SCHEMBL1767795 0.78 BACE1 (0.49) LCKKDRJAK3MAPK14SRC
SCHEMBL5494660 0.76 LCK (0.64) LCKKDRJAK3MAPK14KIT
SCHEMBL4358659 0.75 BACE1 (0.39) LCKKDRJAK3MAPK14SRC
SCHEMBL24335889 0.75 PIK3CA (0.55) LCKKDRJAK3MAPK14CYP2A6

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1836174-B2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2019-10-02 — — EP claimed
EP-1836174-B1 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2013-02-27 — — EP claimed
EP-1836174-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC. (US) 2007-09-26 — — EP claimed
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 — — US claimed
WO-2006039718-A2 ARYL NITROGEN-CONTAINING BICYCLIC COMPOUNDS AND THEIR USE AS KINASE INHIBITORS AMGEN INC (US) 2006-04-13 — — WO claimed
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 — — US disclosed
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 — — US disclosed
US-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use AMGEN INC. 2007-03-08 — — 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 (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-20070054916-A1 Aryl nitrogen-containing bicyclic compounds and methods of use MAP3K1, MAP3K5, MAP3K2 LCK 106/4885KDR 1044/4885JAK3 60/4885

“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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