SCHEMBL445902

SCHEMBL445902

Nc1ccc2c(O)n[nH]c2c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FGFR1 P11362 2/20 0.50
FGFR2 P21802 2/20 0.50
AXL P30530 2/20 0.49
PDPK1 O15530 5/20 0.46
JAK2 O60674 2/20 0.44
HSP90AB1 P08238 1/20 0.42
KDM4E B2RXH2 1/20 0.41
MEN1 O00255 1/20 0.41
MAPT P10636 1/20 0.41
PKM P14618 1/20 0.41
HTT P42858 1/20 0.41
KMT2A Q03164 1/20 0.41
FGFR3 P22607 1/20 0.41
GSK3B P49841 2/20 0.40
CHEK1 O14757 1/20 0.40
ESR1 P03372 1/20 0.40
PARP1 P09874 1/20 0.39
AURKA O14965 1/20 0.39
IMPDH2 P12268 1/20 0.38
MAPK1 P28482 1/20 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
SCHEMBL4004201 0.84 GSK3B (0.51) FGFR1FGFR2AXLPDPK1JAK2
SCHEMBL922069 0.81 PDPK1 (0.65) FGFR1FGFR2AXLPDPK1JAK2
SCHEMBL1573990 0.78 MAP2K4 (0.58) FGFR1FGFR2PDPK1HSP90AB1FGFR3
SCHEMBL30016013 0.76 PDPK1 (0.63) FGFR1FGFR2AXLPDPK1JAK2
SCHEMBL2955244 0.76 MAP2K4 (0.55) FGFR1FGFR2PDPK1HSP90AB1FGFR3
SCHEMBL2302544 0.76 PDPK1 (0.63) FGFR1FGFR2AXLPDPK1JAK2
SCHEMBL14755254 0.76 AXL (0.49) FGFR1FGFR2AXLPDPK1JAK2
SCHEMBL2926172 0.76 AXL (0.49) FGFR1FGFR2AXLPDPK1JAK2
SCHEMBL588513 0.76 AXL (0.50) FGFR1FGFR2AXLPDPK1JAK2
SCHEMBL29613696 0.76 AXL (0.50) FGFR1FGFR2AXLPDPK1JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8642624-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2014-02-04 US disclosed
US-20130273004-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC (US) 2013-10-17 US disclosed
US-8247430-B2 Substituted aryl-amine derivatives and methods of use AMGEN INC. (US) 2012-08-21 US disclosed
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2012-03-15 US disclosed
US-20090143355-A1 Substituted aryl-amine derivatives and methods of use AMGEN INC. (US) 2009-06-04 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 (3 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-20130273004-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO FGFR1 2424/4885FGFR2 3823/4885AXL 974/4885
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO FGFR1 2424/4885FGFR2 3823/4885AXL 974/4885
US-20090143355-A1 Substituted aryl-amine derivatives and methods of use FLT1, FLT4, NAT1 FGFR1 144/4885FGFR2 467/4885AXL 348/4885

“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.