SCHEMBL445410

SCHEMBL445410

COc1nccc(C)c1NC(=O)c1cccnc1NC1CC1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
MEN1 O00255 5/20 0.43
MAPT P10636 4/20 0.43
GAA P10253 2/20 0.43
ALDH1A1 P00352 4/20 0.41
MAPK1 P28482 1/20 0.41
RAB9A P51151 1/20 0.41
NPSR1 Q6W5P4 1/20 0.41
HCRTR1 O43613 1/20 0.41
HCRTR2 O43614 1/20 0.41
TYK2 P29597 1/20 0.40
TRPA1 O75762 1/20 0.40
DHODH Q02127 1/20 0.40
GPR6 P46095 1/20 0.40
PDE10A Q9Y233 1/20 0.39
CNR1 P21554 1/20 0.39
CNR2 P34972 1/20 0.39
TOP1 P11387 1/20 0.38
ROCK2 O75116 1/20 0.38

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
SCHEMBL30435397 1.00 KMT2A (0.44) KMT2AL3MBTL1MEN1MAPTGAA
SCHEMBL14309698 0.88 KMT2A (0.46) KMT2AL3MBTL1MEN1MAPTGAA
SCHEMBL1923555 0.84 LCK (0.43) KMT2AL3MBTL1MEN1MAPTGAA
SCHEMBL30434727 0.84 LCK (0.43) KMT2AL3MBTL1MEN1MAPTGAA
SCHEMBL30434880 0.84 LCK (0.43) KMT2AL3MBTL1MEN1MAPTGAA
SCHEMBL6714580 0.84 KMT2A (0.40) KMT2AL3MBTL1MEN1MAPTGAA
SCHEMBL6714575 0.79 NPC1 (0.48) KMT2AL3MBTL1MEN1MAPTALDH1A1
SCHEMBL14031772 0.76 KMT2A (0.42) KMT2AL3MBTL1MEN1MAPTGAA
SCHEMBL30435330 0.75 LMNA (0.42) KMT2AL3MBTL1MEN1MAPTGAA
SCHEMBL29036570 0.75 LMNA (0.42) KMT2AL3MBTL1MEN1MAPTGAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-116925076-A Nevirapine intermediate compound and preparation method and application thereof 山东新时代药业有限公司 2023-10-24 CN disclosed
CN-116813538-A Nevirapine intermediate compound and preparation method thereof 山东新时代药业有限公司 2023-09-29 CN disclosed
CN-116410129-A Nevirapine intermediate compound 山东新时代药业有限公司 2023-07-11 CN disclosed
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-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-20030087908-A1 Substituted triazinyl amide derivatives and methods of use AMGEN INC. 2003-05-08 US disclosed
WO-2002083654-A1 TRIAZINYL AMIDE DERIVATIVES AS ANGIOGENESIS INHIBITORS AMGEN INC. (US) 2002-10-24 WO 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
US-5532358-A Method for preparing alkyl-5,11-dihydro-6h-dipyrido[3,2-B:2',3'-E] [1,4] diazepin-6-ones BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 1996-07-02 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 (7 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 KMT2A 1313/4885L3MBTL1 2156/4885MEN1 1464/4885
US-20130273004-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO KMT2A 1046/4885L3MBTL1 1828/4885MEN1 1584/4885
US-20030134836-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR KMT2A 1457/4885L3MBTL1 1533/4885MEN1 2237/4885
US-20020147198-A1 Substituted arylamine derivatives and methods of use NAT1, AADAC, AHR KMT2A 1457/4885L3MBTL1 1533/4885MEN1 2237/4885
US-20030195230-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 KMT2A 1259/4885L3MBTL1 2529/4885MEN1 664/4885
US-20120065185-A1 SUBSTITUTED ALKYLAMINE DERIVATIVES AND METHODS OF USE AADAC, NAT1, PIGO KMT2A 1046/4885L3MBTL1 1828/4885MEN1 1584/4885
US-20030087908-A1 Substituted triazinyl amide derivatives and methods of use FLT4, FLT1, VEGFA KMT2A 2665/4885L3MBTL1 3857/4885MEN1 3232/4885

“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.