SCHEMBL427473

SCHEMBL427473

CNCc1ccnc(C#CCN(C)C)c1

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
CYP2A6 P11509 1/20 0.38
PRMT6 Q96LA8 3/20 0.35
EPHX2 P34913 1/20 0.33
MET P08581 1/20 0.32
ADRB2 P07550 1/20 0.32
FGFR1 P11362 1/20 0.32
FGFR2 P21802 1/20 0.32
FGFR4 P22455 1/20 0.32
FGFR3 P22607 1/20 0.32
KDR P35968 1/20 0.32
FLT3 P36888 1/20 0.32
LOXL2 Q9Y4K0 1/20 0.31
SRC P12931 1/20 0.31
KDM4E B2RXH2 1/20 0.30
CYP3A4 P08684 1/20 0.30
MAPT P10636 1/20 0.30

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
SCHEMBL6244474 0.76 LOXL2 (0.46) PRMT6EPHX2ADRB2LOXL2KDM4E
SCHEMBL12213655 0.68 PRMT6 (0.46) CYP2A6PRMT6EPHX2ADRB2LOXL2
SCHEMBL8485243 0.67 UHRF1 (0.46) PRMT6EPHX2ADRB2KDRLOXL2
SCHEMBL10061634 0.65 NOS1 (0.62) PRMT6EPHX2ADRB2KDM4ECYP3A4
SCHEMBL14076711 0.65 PRMT6 (0.43) CYP2A6PRMT6EPHX2ADRB2LOXL2
SCHEMBL23891936 0.65 CYP1A2 (0.44) PRMT6EPHX2ADRB2LOXL2KDM4E
SCHEMBL31638039 0.65 PRMT6 (0.43) CYP2A6PRMT6EPHX2ADRB2LOXL2
SCHEMBL12536053 0.65 LOXL2 (0.57) PRMT6EPHX2ADRB2LOXL2KDM4E
SCHEMBL20788186 0.65 PRMT6 (0.43) CYP2A6PRMT6EPHX2ADRB2LOXL2
SCHEMBL428905 0.65 LOXL2 (0.57) PRMT6EPHX2ADRB2LOXL2KDM4E

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 6 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-8247556-B2 Method for preparing 6-substituted-7-aza-indoles 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-8058445-B2 Substituted pyridinecarboxamides for the treatment of cancer AMGEN INC. (US) 2011-11-15 US disclosed
US-7687643-B2 Process for preparing 3,3-dimethylindolines AMGEN INC. (US) 2010-03-30 US disclosed
US-20070185171-A1 Compounds and methods of use AMGEN INC. 2007-08-09 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-20070185171-A1 Compounds and methods of use VHL, PGF, PTGIS CYP2A6 187/4885PRMT6 3328/4885EPHX2 209/4885
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO CYP2A6 256/4885PRMT6 952/4885EPHX2 636/4885

“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.