SCHEMBL3892473

SCHEMBL3892473

O=C(O)c1cccnc1Nc1ccc2ncccc2c1

nearest known ligand 0.65

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MEN1 O00255 6/20 0.65
▸ KMT2A Q03164 6/20 0.65
▸ RAB9A P51151 5/20 0.65
▸ NPC1 O15118 5/20 0.65
▸ LMNA P02545 3/20 0.65
▸ MAPT P10636 2/20 0.65
▸ DHODH Q02127 6/20 0.64
▸ SMN1; SMN2 Q16637 2/20 0.62
▸ MAPK8 P45983 1/20 0.61
▸ POLB P06746 1/20 0.58
▸ ALDH1A1 P00352 2/20 0.58
▸ HTT P42858 2/20 0.58
▸ NPSR1 Q6W5P4 1/20 0.58
▸ L3MBTL1 Q9Y468 1/20 0.58
▸ PKM P14618 2/20 0.57
▸ MAPK1 P28482 1/20 0.57
▸ GMNN O75496 1/20 0.57
▸ TTR P02766 1/20 0.57
▸ CYP1A2 P05177 1/20 0.57
▸ CYP3A4 P08684 1/20 0.57

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
SCHEMBL2716637 0.88 NPC1 (0.63) MEN1KMT2ARAB9ANPC1LMNA
SCHEMBL2047264 0.87 DHODH (0.70) MEN1KMT2ARAB9ANPC1LMNA
SCHEMBL2713762 0.85 NPC1 (0.55) MEN1KMT2ARAB9ANPC1LMNA
SCHEMBL2627259 0.82 MAPK8 (0.52) MEN1KMT2ARAB9ANPC1LMNA
SCHEMBL3902033 0.81 RAB9A (0.66) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL5962696 0.81 MEN1 (0.62) MEN1KMT2ARAB9ANPC1LMNA
SCHEMBL21203668 0.80 GRM4 (0.57) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL12700385 0.80 NPC1 (0.74) MEN1KMT2ARAB9ANPC1MAPT
SCHEMBL15636368 0.79 DHODH (0.72) MEN1KMT2ARAB9ANPC1LMNA
SCHEMBL479877 0.79 DHODH (1.00) MEN1KMT2ARAB9ANPC1LMNA

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7514564-B2 Substituted amine derivatives and methods of use AMGEN INC. (US) 2009-04-07 — — US disclosed
EP-1562933-B1 SUBSTITUTED AMINE DERIVATIVES AND METHODS OF USE IN THE TREATMENT OF ANGIOGENESIS RELATED DISORDERS AMGEN INC (US) 2008-03-19 — — EP disclosed
US-7105682-B2 Substituted amine derivatives and methods of use AMGEN INC. (US) 2006-09-12 — — US disclosed
US-7102009-B2 Substituted amine derivatives and methods of use AMGEN INC. (US) 2006-09-05 — — US disclosed
US-20060194848-A1 e.g. 2-(1H-indazol-6-ylamino)-N-[3-(3-morpholin-4-yl-propyl)-5-trifluoromethyl-phenyl]-nicotinamide; angiogenesis inhibitors, antiproliferative or anticarcinogenic agents AMGEN INC. 2006-08-31 — — US disclosed
EP-1562933-A2 SUBSTITUTED AMINE DERIVATIVES AND METHODS OF USE IN THE TREATMENT OF ANGIOGENESIS RELATED DISORDERS Amgen Inc. (US) 2005-08-17 — — EP disclosed
EP-1467721-A2 SUBSTITUTED AMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF ANGIOGENESIS Amgen Inc. (US) 2004-10-20 — — EP disclosed
WO-2004007481-A2 SUBSTITUTED AMINE DERIVATIVES AND METHODS OF USE IN THE TREATMENT OF ANGIOGENESIS RELATES DISORDERS AMGEN INC. (US) 2004-01-22 — — WO 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
WO-2002068406-A2 SUBSTITUTED AMINE DERIVATIVES AND THEIR USE FOR THE TREATMENT OF ANGIOGENESIS AMGEN INC. (US) 2002-09-06 — — 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 (3 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-20030203922-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 MEN1 664/4885KMT2A 1259/4885RAB9A 2278/4885
US-20030195230-A1 Substituted amine derivatives and methods of use MAOB, HNMT, FLT4 MEN1 664/4885KMT2A 1259/4885RAB9A 2278/4885
US-20060194848-A1 e.g. 2-(1H-indazol-6-ylamino)-N-[3-(3-morpholin-4-yl-propyl)-5-trifluoromethyl-phenyl]-nicotinamide; angiogenesis inhibitors, antiproliferative or anticarcinogenic agents NNT, NAMPT, NNMT MEN1 1934/4885KMT2A 3032/4885RAB9A 2659/4885

“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.

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