SCHEMBL2741576

SCHEMBL2741576

Nc1ncc2cc(-c3ccccc3)ccc2n1

nearest known ligand 0.65

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
LCK P06239 3/20 0.65
KDR P35968 1/20 0.65
JAK3 P52333 1/20 0.65
MAPK14 Q16539 1/20 0.65
BACE1 P56817 1/20 0.59
SRC P12931 3/20 0.53
KIT P10721 1/20 0.53
DHFR P00374 2/20 0.51
ADORA1 P30542 5/20 0.50
ADORA2A P29274 3/20 0.50
MAP4K4 O95819 1/20 0.47
PIK3CA P42336 1/20 0.47
PI4KA P42356 1/20 0.47
PI4KB Q9UBF8 1/20 0.47
MET P08581 1/20 0.46
FGFR1 P11362 1/20 0.45

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
SCHEMBL5494272 0.87 LCK (0.58) LCKKDRJAK3MAPK14BACE1
SCHEMBL5488838 0.86 MAP4K4 (0.61) LCKKDRJAK3MAPK14BACE1
SCHEMBL29515770 0.86 DHFR (0.56) LCKKDRJAK3MAPK14BACE1
SCHEMBL12575879 0.84 LCK (0.55) LCKKDRJAK3MAPK14SRC
SCHEMBL3025007 0.84 LCK (0.55) LCKKDRJAK3MAPK14SRC
SCHEMBL24335889 0.83 PIK3CA (0.55) LCKKDRJAK3MAPK14DHFR
SCHEMBL12575968 0.83 SRC (0.61) LCKKDRJAK3MAPK14SRC
SCHEMBL17803857 0.83 LCK (0.62) LCKKDRJAK3MAPK14SRC
SCHEMBL5496333 0.82 LCK (0.59) LCKKDRJAK3MAPK14SRC
SCHEMBL5494720 0.82 LCK (0.58) LCKKDRJAK3MAPK14

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 4 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 disclosed
CN-109843858-A Certain chemical entities, composition and method 润新生物公司 2019-06-04 CN disclosed
US-8389530-B2 Substituted quinazoline compounds FOVEA PHARMACEUTICALS (FR) 2013-03-05 US disclosed
US-20120004210-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS FOVEA PHARMACEUTICALS SA 2012-01-05 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-20120004210-A1 SUBSTITUTED QUINAZOLINE COMPOUNDS MAP3K5, MAP3K1, MAP3K2 LCK 392/4885KDR 296/4885JAK3 258/4885

“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.