SCHEMBL4893554

SCHEMBL4893554

Cc1c[n+]([O-])c(N)cc1[N+](=O)[O-]

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 6/20 0.50
CYP3A4 P08684 5/20 0.50
ALDH1A1 P00352 4/20 0.50
RECQL P46063 1/20 0.50
MAPT P10636 2/20 0.42
KDM4E B2RXH2 1/20 0.42
NPC1 O15118 1/20 0.42
S1PR4 O95977 1/20 0.42
S1PR1 P21453 1/20 0.42
HTT P42858 1/20 0.42
RAB9A P51151 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HSD17B10 Q99714 1/20 0.42
GAA P10253 1/20 0.41
TDP1 Q9NUW8 3/20 0.39
CES2 O00748 1/20 0.38
CES1 P23141 1/20 0.38
CYP1A2 P05177 1/20 0.38
GPR35 Q9HC97 2/20 0.37
MEN1 O00255 1/20 0.36

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
SCHEMBL540381 0.81 MAPT (0.45) TSHRCYP3A4ALDH1A1RECQLMAPT
SCHEMBL2596740 0.78 CYP1A2 (0.46) TSHRCYP3A4ALDH1A1RECQLMAPT
SCHEMBL29671003 0.78 TSHR (0.42) TSHRCYP3A4ALDH1A1RECQLMAPT
SCHEMBL624089 0.78 TSHR (0.42) TSHRCYP3A4ALDH1A1RECQLMAPT
SCHEMBL4773718 0.76 MAPT (0.46) TSHRCYP3A4ALDH1A1RECQLMAPT
SCHEMBL17504823 0.74 TSHR (0.39) TSHRCYP3A4ALDH1A1RECQLHSD17B10
SCHEMBL11611060 0.72 ALDH1A1 (0.39) ALDH1A1MAPTKDM4ENPC1S1PR4
SCHEMBL14015137 0.72 SMN1; SMN2 (0.44) TSHRCYP3A4ALDH1A1RECQLMAPT
SCHEMBL18298485 0.72 MEN1 (0.47) ALDH1A1MAPTNPC1HTTRAB9A
SCHEMBL9104563 0.71 ALDH1A1 (0.48) TSHRALDH1A1MAPTNPC1HTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1840122-B1 AMINOPYRIMIDINE COMPOUNDS AND THEIR SALTS, PROCESS FOR PREPARATION AND PHARMACEUTICAL USE THEREOF SUN PIAOYANG (CN) 2013-08-28 EP disclosed
US-8183242-B2 Aminopyrimidine compounds and their salts, process for preparation and pharmaceutical use thereof Sun, Piaoyang (CN) 2012-05-22 US disclosed
US-20080312251-A1 Aminopyrimidine Compounds and Their Salts, Process for Preparation and Pharmaceutical Use Thereof JIANGSU HANSOH PHARMACEUTICAL GROUP CO., LTD. (CN) 2008-12-18 US disclosed
EP-1840122-A1 AMINOPYRIMIDINE COMPOUNDS AND THEIR SALTS, PROCESS FOR PREPARATION AND PHARMACEUTICAL USE THEREOF Sun, Piaoyang (CN) 2007-10-03 EP 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 (1 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-20080312251-A1 Aminopyrimidine Compounds and Their Salts, Process for Preparation and Pharmaceutical Use Thereof DPYD, PKN2, TYMP TSHR 3353/4885CYP3A4 831/4885ALDH1A1 2443/4885

“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.