SCHEMBL657642

SCHEMBL657642

Brc1c(-c2ccccc2)sc2cnccc12

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRAF P15056 2/20 0.42
ALOX5 P09917 1/20 0.39
PLK4 O00444 2/20 0.37
AURKA O14965 2/20 0.37
DAPK3 O43293 2/20 0.37
CHEK2 O96017 2/20 0.37
CDK1 P06493 2/20 0.37
PIM1 P11309 2/20 0.37
PRKACA P17612 2/20 0.37
CDK2 P24941 2/20 0.37
MAPK9 P45984 2/20 0.37
CSNK1D P48730 2/20 0.37
GSK3A P49840 2/20 0.37
GSK3B P49841 2/20 0.37
RPS6KA3 P51812 2/20 0.37
CSNK2A1 P68400 2/20 0.37
DYRK1A Q13627 2/20 0.37
AURKB Q96GD4 2/20 0.37
PLK3 Q9H4B4 2/20 0.37
SGK2 Q9HBY8 2/20 0.37

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
SCHEMBL5620698 0.80 ALDH1A1 (0.46) BRAFALOX5PLK4AURKADAPK3
SCHEMBL9868855 0.80 ALOX5 (0.45) BRAFALOX5PLK4AURKADAPK3
SCHEMBL6437003 0.78 GPR3 (0.46) PTPN1MAPK1NPC1RAB9AALDH1A1
SCHEMBL659162 0.74 IMPDH2 (0.40) AURKADAPK3PIM1PRKACAGSK3A
SCHEMBL2150616 0.74 PTPN1 (0.37) ALOX5PTPN1MAPK1LIMK1NPC1
SCHEMBL29765328 0.72 LIMK1 (0.43) ALOX5PTPN1MAPK1LIMK1ROCK1
SCHEMBL28415064 0.72 LIMK1 (0.43) ALOX5PTPN1MAPK1LIMK1ROCK1
SCHEMBL660127 0.72 KDM4E (0.40) AURKADAPK3PIM1PRKACACDK2
SCHEMBL9869471 0.71 BRAF (0.37) BRAFALOX5PLK4AURKADAPK3
SCHEMBL9868772 0.71 ALOX5 (0.46) BRAFALOX5PLK4AURKADAPK3

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 BRAF 277/4885ALOX5 2680/4885PLK4 653/4885

“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.