SCHEMBL447449

SCHEMBL447449

O=C(Nc1ccc(I)cc1)c1cccnc1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NAPRT Q6XQN6 1/20 0.51
KDM4E B2RXH2 2/20 0.51
KMT2A Q03164 6/20 0.50
MEN1 O00255 4/20 0.50
PRKCI P41743 2/20 0.50
TDP1 Q9NUW8 1/20 0.50
ALDH1A1 P00352 2/20 0.49
GAA P10253 3/20 0.49
MAPT P10636 3/20 0.49
LCLAT1 Q6UWP7 1/20 0.48
NPC1 O15118 1/20 0.48
CASP3 P42574 1/20 0.48
RAB9A P51151 1/20 0.48
SENP8 Q96LD8 1/20 0.48
SENP7 Q9BQF6 1/20 0.48
SENP6 Q9GZR1 1/20 0.48
GRM4 Q14833 1/20 0.48
HTT P42858 1/20 0.48
LMNA P02545 1/20 0.46
KDR P35968 1/20 0.46

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
SCHEMBL4600539 0.88 KMT2A (0.63) NAPRTKDM4EKMT2AMEN1PRKCI
SCHEMBL4599740 0.86 PRKCI (0.67) NAPRTKDM4EKMT2AMEN1PRKCI
SCHEMBL445818 0.82 EGLN1 (0.62) NPC1RAB9AKDR
SCHEMBL444553 0.81 TRPV1 (0.60) KDM4E
SCHEMBL20618438 0.80 EGLN1 (0.61) KDM4EKMT2AMEN1ALDH1A1GAA
SCHEMBL3956492 0.80 EGLN1 (0.50) NAPRTKDM4EKMT2AMEN1PRKCI
SCHEMBL16620005 0.79 TRPV1 (0.42) KMT2AMEN1PRKCITDP1HTT
SCHEMBL4967923 0.79 RORC (0.62) NAPRTKDM4EKMT2APRKCIALDH1A1
SCHEMBL4970426 0.78 NPC1 (0.68) KDM4EKMT2AMEN1ALDH1A1GAA
SCHEMBL1720895 0.78 KCNQ3 (0.59) ALDH1A1

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 46 patents — showing the first 20. 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
EP-1537084-B1 SUBSTITUTED 2-ALKYLAMINE NICOTINIC AMIDE DERIVATIVES AND USE THERE OF AMGEN INC (US) 2013-08-21 EP 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-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
US-20090143355-A1 Substituted aryl-amine derivatives and methods of use AMGEN INC. (US) 2009-06-04 US disclosed
US-7514564-B2 Substituted amine derivatives and methods of use AMGEN INC. (US) 2009-04-07 US disclosed
EP-1358184-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE Amgen Inc. (US) 2003-11-05 EP disclosed
EP-1358161-A2 N-PYRIDYL CARBOXAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM Amgen Inc. (US) 2003-11-05 EP disclosed
US-20030203922-A1 Substituted amine derivatives and methods of use AMGEN INC. 2003-10-30 US disclosed
US-20030195230-A1 Substituted amine derivatives and methods of use AMGEN INC. 2003-10-16 US disclosed
US-20030134836-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2003-07-17 US disclosed
US-20030125339-A1 Substituted alkylamine derivatives and methods of use AMGEN INC. 2003-07-03 US disclosed
US-20020147198-A1 Substituted arylamine derivatives and methods of use AMGEN INC. 2002-10-10 US disclosed
WO-2002068406-A2 SUBSTITUTED AMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF ANGIOGENESIS AMGEN INC. (US) 2002-09-06 WO disclosed
WO-2002066470-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AMGEN INC. (US) 2002-08-29 WO disclosed
WO-2002055501-A2 N-PYRIDYL CARBOXAMIDE DERIVATIVES AND PHARMACEUTICAL COMPOSITIONS CONTAINING THEM AMGEN INC (US) 2002-07-18 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 (8 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-20030125339-A1 Substituted alkylamine derivatives and methods of use AADAC, NAT1, PIGO NAPRT 213/4885KDM4E 1133/4885KMT2A 1313/4885
US-20130273004-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO NAPRT 168/4885KDM4E 1013/4885KMT2A 1046/4885
US-20030134836-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR NAPRT 113/4885KDM4E 1056/4885KMT2A 1457/4885
US-20030203922-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 NAPRT 127/4885KDM4E 850/4885KMT2A 1259/4885
US-20020147198-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR NAPRT 113/4885KDM4E 1056/4885KMT2A 1457/4885
US-20030195230-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 NAPRT 127/4885KDM4E 850/4885KMT2A 1259/4885
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO NAPRT 168/4885KDM4E 1013/4885KMT2A 1046/4885
US-20090143355-A1 Substituted aryl-amine derivatives and methods of use FLT1, FLT4, NAT1 NAPRT 293/4885KDM4E 883/4885KMT2A 1075/4885

“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.