SCHEMBL444440

SCHEMBL444440

Cc1ccc(C(=O)O)c(NCc2ccncc2)n1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM5B Q9UGL1 2/20 0.49
PPARG P37231 1/20 0.46
KDM4E B2RXH2 2/20 0.46
KDM4C Q9H3R0 2/20 0.46
KDM6B O15054 1/20 0.46
KDM4A O75164 1/20 0.46
KDM4D Q6B0I6 1/20 0.46
KDR P35968 2/20 0.45
KMT2A Q03164 3/20 0.45
MEN1 O00255 2/20 0.45
POLB P06746 3/20 0.44
L3MBTL1 Q9Y468 3/20 0.44
ALDH1A1 P00352 1/20 0.44
GAA P10253 1/20 0.44
MAPT P10636 1/20 0.44
TDP1 Q9NUW8 1/20 0.44
ACLY P53396 1/20 0.43
CDC7 O00311 1/20 0.43
DBF4 Q9UBU7 1/20 0.43
MAPK1 P28482 1/20 0.43

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
SCHEMBL7834038 0.88 KDM5B (0.58) KDM5BPPARGKDM4EKDM4CKDM6B
Ammonia Solution, Strong SCHEMBL27649502 0.87 KDM5B (0.57) KDM5BPPARGKDM4EKDM4CKDM6B
SCHEMBL3055165 0.83 KDM5B (0.49) KDM5BPPARGKDM4EKDM4CKDM6B
Benzylamine SCHEMBL1523283 0.82 KDM5B (0.52) KDM5BPPARGKDM4EKDM4CKDM6B
SCHEMBL26113920 0.80 KDM4C (0.55) KDM5BPPARGKDM4EKDM4CKDR
SCHEMBL427507 0.79 KDR (0.69) KDR
SCHEMBL11484236 0.79 ACLY (0.49) KDM4EKDM4CKDM6BKMT2AMEN1
SCHEMBL2899932 0.77 KDM4C (0.53) KDM4EKDM4CKMT2AMEN1POLB
SCHEMBL1715372 0.77 KDR (0.65) KDM5BKDM4EKDM4CKDM6BKDM4A
SCHEMBL426410 0.76 KDR (0.70) KDRPOLBMAPTMAPK1

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 18 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-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
EP-2311829-A1 Substituted alkylamine derivatives and methods of use Amgen Inc. (US) 2011-04-20 EP disclosed
US-7687643-B2 Process for preparing 3,3-dimethylindolines AMGEN INC. (US) 2010-03-30 US disclosed
EP-1798230-A1 Substituted alkylamine derivatives and methods of use Amgen Inc. (US) 2007-06-20 EP disclosed
US-20060040956-A1 Substituted alkylamine derivatives and methods of use CHEN GUOQING 2006-02-23 US disclosed
US-6995162-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2006-02-07 US disclosed
US-20050261313-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2005-11-24 US disclosed
CN-1671700-A Substituted alkylamine derivatives and methods of use AMGEN INC (US) 2005-09-21 CN disclosed
EP-1537084-A1 SUBSTITUTED 2-ALKYLAMINE NICOTINIC AMIDE DERIVATIVES AND USE THERE OF Amgen Inc. (US) 2005-06-08 EP disclosed
US-6878714-B2 Substituted alkylamine derivatives and methods of use AMGEN INC. (US) 2005-04-12 US disclosed
WO-2004007458-A1 SUBSTITUTED 2-ALKYLAMINE NICOTINIC AMIDE DERIVATIVES AND USE THERE OF AMGEN INC. (US) 2004-01-22 WO 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 KDM5B 427/4885PPARG 1420/4885KDM4E 922/4885
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AADAC, NAT1, PIGO KDM5B 564/4885PPARG 807/4885KDM4E 1133/4885
US-20130273004-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO KDM5B 544/4885PPARG 504/4885KDM4E 1013/4885
US-20050261313-A1 Substituted alkylamine derivatives and methods of use NAT1, PIGO, AADAC KDM5B 427/4885PPARG 1420/4885KDM4E 922/4885
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO KDM5B 544/4885PPARG 504/4885KDM4E 1013/4885
US-20060040956-A1 Substituted alkylamine derivatives and methods of use AADAC, NAT1, PIGO KDM5B 564/4885PPARG 807/4885KDM4E 1133/4885

“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.