SCHEMBL2977331

SCHEMBL2977331

O=C(O)NCCNc1ccccc1[N+](=O)[O-]

nearest known ligand 0.65

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 5/20 0.65
NPC1 O15118 4/20 0.65
KAT2B Q92831 2/20 0.63
MAPT P10636 6/20 0.61
SMN1; SMN2 Q16637 2/20 0.61
KMT2A Q03164 2/20 0.61
LMNA P02545 2/20 0.61
GAA P10253 2/20 0.61
ALDH1A1 P00352 5/20 0.59
HTT P42858 1/20 0.56
MEN1 O00255 1/20 0.55
L3MBTL1 Q9Y468 3/20 0.50
MAPK1 P28482 2/20 0.50
CASP7 P55210 1/20 0.50
TDP1 Q9NUW8 1/20 0.50

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
SCHEMBL2977328 1.00 RAB9A (0.65) RAB9ANPC1KAT2BMAPTSMN1; SMN2
SCHEMBL28905485 0.87 RAB9A (0.63) RAB9ANPC1KAT2BMAPTSMN1; SMN2
SCHEMBL6198859 0.87 KAT2B (0.80) RAB9ANPC1KAT2BMAPTSMN1; SMN2
SCHEMBL7369567 0.86 NPC1 (0.64) RAB9ANPC1KAT2BMAPTSMN1; SMN2
SCHEMBL21071015 0.86 MAPT (0.61) RAB9ANPC1KAT2BMAPTSMN1; SMN2
SCHEMBL5026709 0.83 KAT2B (0.60) RAB9ANPC1KAT2BMAPTSMN1; SMN2
SCHEMBL3754753 0.83 MAPT (0.48) RAB9ANPC1MAPTSMN1; SMN2KMT2A
SCHEMBL8288907 0.82 RAB9A (0.60) RAB9ANPC1KAT2BMAPTSMN1; SMN2
SCHEMBL7167935 0.82 KAT2B (0.69) RAB9ANPC1KAT2BMAPTSMN1; SMN2
SCHEMBL22499550 0.81 KMT2A (0.55) RAB9ANPC1KAT2BMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1831207-B1 AMINOPYRIMIDINE COMPOUNDS AS PLK INHIBITORS AMGEN INC (US) 2012-11-14 EP disclosed
US-7858785-B2 Aminopyrimidine compounds and methods of use AMGEN INC. (US) 2010-12-28 US disclosed
US-7786132-B2 Aminopyrimidine compounds and methods of use AMGEN INC. (US) 2010-08-31 US disclosed
US-20100010014-A1 AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2010-01-14 US disclosed
EP-1831207-A1 AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE Amgen Inc. (US) 2007-09-12 EP disclosed
US-20070185133-A1 Aminopyrimidine compounds and methods of use AMGEN, INC. (US) 2007-08-09 US disclosed
WO-2006066172-A1 AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE AMGEN, INC. (US) 2006-06-22 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 (2 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-20100010014-A1 AMINOPYRIMIDINE COMPOUNDS AND METHODS OF USE PLK1, TYMP, TK2 RAB9A 3433/4885NPC1 3409/4885KAT2B 3049/4885
US-20070185133-A1 Aminopyrimidine compounds and methods of use PLK1, TYMP, TK2 RAB9A 3433/4885NPC1 3409/4885KAT2B 3049/4885

“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.