SCHEMBL447443

SCHEMBL447443

FC(F)(F)c1cc(-c2cccnc2)nn1-c1cc[c]cc1

nearest known ligand 0.61

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
EPHX2 P34913 11/20 0.61
USP8 P40818 1/20 0.46
PTGS2 P35354 2/20 0.44
CA12 O43570 1/20 0.42
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA9 Q16790 1/20 0.42
ALOX5 P09917 1/20 0.42
TBXAS1 P24557 1/20 0.42
SLC6A3 Q01959 1/20 0.42
SIGMAR1 Q99720 1/20 0.42
NTRK1 P04629 1/20 0.41
TP53 P04637 1/20 0.40
PTGS1 P23219 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
SCHEMBL14409476 0.85 EPHX2 (0.64) EPHX2USP8PTGS2CA12CA1
SCHEMBL4252798 0.84 EPHX2 (0.61) EPHX2USP8PTGS2CA12CA1
SCHEMBL4245870 0.81 EPHX2 (0.65) EPHX2USP8PTGS2CA12CA1
SCHEMBL4248317 0.81 EPHX2 (0.72) EPHX2USP8PTGS2ALOX5TBXAS1
SCHEMBL4252890 0.81 EPHX2 (0.64) EPHX2USP8PTGS2CA12CA1
SCHEMBL4247381 0.79 EPHX2 (0.62) EPHX2USP8PTGS2CA12CA1
SCHEMBL21935301 0.77 EPHX2 (0.66) EPHX2ALOX5TBXAS1SLC6A3SIGMAR1
SCHEMBL8495561 0.77 EPHX2 (0.61) EPHX2USP8CA12CA1CA2
SCHEMBL4245877 0.76 EPHX2 (0.59) EPHX2USP8PTGS2CA12CA1
SCHEMBL4252882 0.76 EPHX2 (0.67) EPHX2USP8ALOX5TBXAS1SLC6A3

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 30 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2168948-A1 2-AMINO-NICOTINAMIDE DERIVATIVES AND THEIR USE AS VEGF-RECEPTOR TYROSINE KINASE INHIBITORS Novartis AG (CH) 2010-03-31 EP claimed
EP-1798230-A1 Substituted alkylamine derivatives and methods of use Amgen Inc. (US) 2007-06-20 EP claimed
US-20060040956-A1 Substituted alkylamine derivatives and methods of use CHEN GUOQING 2006-02-23 US claimed
US-6995162-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2006-02-07 US claimed
CN-1671700-A Substituted alkylamine derivatives and methods of use AMGEN INC (US) 2005-09-21 CN claimed
EP-1358184-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE Amgen Inc. (US) 2003-11-05 EP claimed
US-6624174-B2 Especially for treating a neoplastic disease, retinopathy or age-related macular degeneration NOVARTIS AG (CH) 2003-09-23 US claimed
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2003-07-03 US claimed
US-20030032656-A1 2-Amino-nicotinamide derivatives and their use as vegf-receptor tyrosine kinase inhibitors NOVARTIS AG (CH) 2003-02-13 US claimed
EP-1259487-A1 2-AMINO-NICOTINAMIDE DERIVATIVES AND THEIR USE AS VEGF-RECEPTOR TYROSINE KINASE INHIBITORS Novartis AG (CH) 2002-11-27 EP claimed
WO-2002066470-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2002-08-29 WO claimed
WO-2001055114-A1 2-AMINO-NICOTINAMIDE DERIVATIVES AND THEIR USE AS VEGF-RECEPTOR TYROSINE KINASE INHIBITORS NOVARTIS AG (CH) 2001-08-02 WO claimed
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-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-20030225106-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2003-12-04 US disclosed
EP-1358184-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE Amgen Inc. (US) 2003-11-05 EP disclosed
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2003-07-03 US disclosed
WO-2002066470-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2002-08-29 WO 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 (6 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-20030225106-A1 Substituted alkylamine derivatives and methods of use NAT1, PIGO, AADAC EPHX2 592/4885USP8 3723/4885PTGS2 617/4885
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AADAC, NAT1, PIGO EPHX2 457/4885USP8 3133/4885PTGS2 300/4885
US-20130273004-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO EPHX2 636/4885USP8 2941/4885PTGS2 347/4885
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO EPHX2 636/4885USP8 2941/4885PTGS2 347/4885
US-20060040956-A1 Substituted alkylamine derivatives and methods of use AADAC, NAT1, PIGO EPHX2 457/4885USP8 3133/4885PTGS2 300/4885
US-20030032656-A1 2-Amino-nicotinamide derivatives and their use as vegf-receptor tyrosine kinase inhibitors KDR, ERBB2, FLT1 EPHX2 3000/4885USP8 3973/4885PTGS2 773/4885

“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.