SCHEMBL2748607

SCHEMBL2748607

Nc1ncc(-c2cnn(CCC(=O)N3CCOCC3)c2)cc1-c1nc2ccccc2s1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MET P08581 11/20 0.46
ALDH1A1 P00352 4/20 0.43
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
MAPK1 P28482 2/20 0.43
HSD17B10 Q99714 2/20 0.43
MAPT P10636 1/20 0.43
PKM P14618 1/20 0.43
IKBKE Q14164 1/20 0.43
TBK1 Q9UHD2 1/20 0.43
LRRK2 Q5S007 1/20 0.42
JAK2 O60674 1/20 0.42
KDR P35968 1/20 0.42
JAK3 P52333 1/20 0.42
BTK Q06187 1/20 0.42
ILK Q13418 1/20 0.41
RECQL P46063 1/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KDM4E B2RXH2 1/20 0.40
MEN1 O00255 1/20 0.40

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
SCHEMBL2749147 0.93 MET (0.46) METALDH1A1NPC1RAB9AMAPK1
SCHEMBL2748538 0.92 MET (0.45) METALDH1A1NPC1RAB9AMAPK1
SCHEMBL2748024 0.92 MET (0.49) METALDH1A1NPC1RAB9AMAPK1
SCHEMBL2750001 0.90 MET (0.46) METALDH1A1NPC1RAB9AMAPK1
SCHEMBL2750511 0.87 ILK (0.52) METIKBKETBK1LRRK2ILK
SCHEMBL2748664 0.87 MET (0.43) METALDH1A1NPC1RAB9AMAPK1
SCHEMBL2748423 0.85 MET (0.50) METALDH1A1NPC1RAB9AMAPK1
SCHEMBL2748462 0.85 MET (0.50) METALDH1A1NPC1RAB9AMAPK1
SCHEMBL2748653 0.84 BTK (0.47) METALDH1A1NPC1RAB9AMAPK1
SCHEMBL2749602 0.83 BTK (0.48) METALDH1A1NPC1RAB9AMAPK1

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-8178668-B2 2-aminopyridine kinase inhibitors OSI Pharmaceuticals, LLC (US) 2012-05-15 US 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 (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-20090197862-A1 2-AMINOPYRIDINE KINASE INHIBITORS ERBB2, ABL2, TIE1 MET 38/4885ALDH1A1 945/4885NPC1 3311/4885

“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.