SCHEMBL658805

SCHEMBL658805

Nc1nccc2cc(-c3c(-c4ccccc4)sc4cnccc34)oc12

nearest known ligand 0.48

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MAP3K7 O43318 16/20 0.48
TAB1 Q15750 16/20 0.48
KDR P35968 2/20 0.36
AURKB Q96GD4 2/20 0.36
NPC1 O15118 1/20 0.34
RAB9A P51151 1/20 0.34
TLR8 Q9NR97 1/20 0.34
BRAF P15056 1/20 0.34
ROCK1 Q13464 1/20 0.33

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
SCHEMBL658922 0.83 MAP3K7 (0.53) MAP3K7TAB1KDRAURKBBRAF
SCHEMBL659026 0.75 RAB9A (0.58) MAP3K7TAB1NPC1RAB9ATLR8
SCHEMBL664646 0.73 MAP3K7 (0.64) MAP3K7TAB1KDRAURKBTLR8
SCHEMBL10219502 0.71 MAP3K7 (0.57) MAP3K7TAB1KDRAURKB
SCHEMBL660235 0.70 LMNA (0.44) MAP3K7TAB1RAB9ATLR8
SCHEMBL5620698 0.69 ALDH1A1 (0.46) MAP3K7TAB1KDRAURKBBRAF
SCHEMBL659267 0.65 MAP3K7 (0.49) MAP3K7TAB1KDRAURKBTLR8
SCHEMBL659236 0.65 TLR8 (0.40) MAP3K7TAB1KDRAURKBTLR8
SCHEMBL659979 0.65 TLR8 (0.40) MAP3K7TAB1KDRAURKBTLR8
SCHEMBL657642 0.64 BRAF (0.42) MAP3K7TAB1KDRAURKBNPC1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8378104-B2 7-aminofuropyridine derivatives OSI Pharmaceuticals, LLC (US) 2013-02-19 US disclosed
US-20120046267-A1 7-AMINOFUROPYRIDINE DERIVATIVES OSI PHARMACEUTICALS, INC. 2012-02-23 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-20120046267-A1 7-AMINOFUROPYRIDINE DERIVATIVES MAP3K5, STK17A, MAPKAPK5 MAP3K7 5/4885TAB1 4/4885KDR 3584/4885

“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.