SCHEMBL660168

SCHEMBL660168

CSc1nc2cccc(Br)c2s1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 4/20 0.43
HPGD P15428 4/20 0.43
MAPT P10636 4/20 0.43
MEN1 O00255 3/20 0.43
NPC1 O15118 3/20 0.43
RAB9A P51151 3/20 0.43
KMT2A Q03164 3/20 0.43
SMN1; SMN2 Q16637 3/20 0.43
NPSR1 Q6W5P4 3/20 0.43
HCRTR1 O43613 2/20 0.43
HSP90AA1 P07900 1/20 0.41
HSP90AB1 P08238 1/20 0.41
HSD17B10 Q99714 2/20 0.41
TDP1 Q9NUW8 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
PPARG P37231 1/20 0.41

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
SCHEMBL2749954 0.79 NPC1 (0.45) ALDH1A1KDM4EHPGDMAPTMEN1
SCHEMBL30189894 0.77 NQO2 (0.43) ALDH1A1KDM4EHPGDMAPTMEN1
SCHEMBL19782783 0.77 NQO2 (0.43) ALDH1A1KDM4EHPGDMAPTMEN1
SCHEMBL25156042 0.76 RAB9A (0.42) ALDH1A1KDM4EHPGDMAPTNPC1
SCHEMBL23462971 0.75 ALDH1A1 (0.47) ALDH1A1KDM4EHPGDMAPTMEN1
SCHEMBL2748625 0.75 KDM4E (0.41) ALDH1A1KDM4EHPGDMAPTMEN1
SCHEMBL10759996 0.74 HSP90AA1 (0.40) ALDH1A1KDM4EHPGDMAPTMEN1
SCHEMBL2594871 0.74 KEAP1 (0.50) ALDH1A1KDM4EHPGDMAPTMEN1
SCHEMBL18038421 0.74 AKR1B1 (0.39) ALDH1A1HPGDMAPTMEN1NPC1
SCHEMBL16835598 0.74 KDM4E (0.40) ALDH1A1KDM4EHPGDMAPTMEN1

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
US-8378104-B2 7-aminofuropyridine derivatives OSI Pharmaceuticals, LLC (US) 2013-02-19 US disclosed
EP-2534156-A1 7-AMINOFUROPYRIDINE DERIVATIVES OSI Pharmaceuticals, LLC (US) 2012-12-19 EP disclosed
US-8178668-B2 2-aminopyridine kinase inhibitors OSI Pharmaceuticals, LLC (US) 2012-05-15 US disclosed
US-20120046267-A1 7-AMINOFUROPYRIDINE DERIVATIVES OSI PHARMACEUTICALS, INC. 2012-02-23 US disclosed
WO-2011100502-A1 7-AMINOFUROPYRIDINE DERIVATIVES OSI Pharmaceuticals, LLC (US) 2011-08-18 WO disclosed
EP-2265270-A1 2-AMINOPYRIDINE KINASE INHIBITORS OSI Pharmaceuticals, Inc. (US) 2010-12-29 EP disclosed
WO-2009099982-A1 2-AMINOPYRIDINE KINASE INHIBITORS OSI PHARMACEUTICALS, INC. (US) 2009-08-13 WO disclosed
US-20090197862-A1 2-AMINOPYRIDINE KINASE INHIBITORS OSI PHARMACEUTICALS, INC. 2009-08-06 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-20120046267-A1 7-AMINOFUROPYRIDINE DERIVATIVES MAP3K5, STK17A, MAPKAPK5 ALDH1A1 490/4885KDM4E 117/4885HPGD 2213/4885
US-20090197862-A1 2-AMINOPYRIDINE KINASE INHIBITORS ERBB2, ABL2, TIE1 ALDH1A1 945/4885KDM4E 1371/4885HPGD 4176/4885

“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.