SCHEMBL6604256

SCHEMBL6604256

CCOC(=O)c1cnc(C)nc1N

nearest known ligand 0.70

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 9/20 0.63
ALDH1A1 P00352 9/20 0.63
NPC1 O15118 8/20 0.63
RAB9A P51151 8/20 0.63
MAPT P10636 6/20 0.63
TP53 P04637 1/20 0.63
NFKB1 P19838 2/20 0.60
NFKB2 Q00653 2/20 0.60
RELA Q04206 2/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
TSHR P16473 2/20 0.60
RECQL P46063 1/20 0.60
LMNA P02545 4/20 0.56
HSD17B10 Q99714 2/20 0.56
MAPK1 P28482 1/20 0.56
HSP90AA1 P07900 1/20 0.56
CSNK1D P48730 1/20 0.56
CYP1A2 P05177 1/20 0.55
CYP2D6 P10635 1/20 0.55
CYP2C9 P11712 1/20 0.55

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
SCHEMBL3222155 0.87 HSP90AA1 (0.68) SMN1; SMN2ALDH1A1NPC1RAB9AMAPT
SCHEMBL10958445 0.85 SMN1; SMN2 (0.62) SMN1; SMN2ALDH1A1NPC1RAB9AMAPT
SCHEMBL11319860 0.84 RAB9A (0.60) SMN1; SMN2ALDH1A1NPC1RAB9AMAPT
SCHEMBL3092283 0.84 RAB9A (0.60) SMN1; SMN2ALDH1A1NPC1RAB9AMAPT
SCHEMBL1992777 0.84 RAB9A (0.60) SMN1; SMN2ALDH1A1NPC1RAB9AMAPT
SCHEMBL16697354 0.84 SMN1; SMN2 (0.60) SMN1; SMN2ALDH1A1NPC1RAB9AMAPT
SCHEMBL30996914 0.83 RAB9A (0.56) SMN1; SMN2ALDH1A1NPC1RAB9AMAPT
SCHEMBL1669574 0.83 RAB9A (0.56) SMN1; SMN2ALDH1A1NPC1RAB9AMAPT
SCHEMBL3618934 0.83 LMNA (0.46) SMN1; SMN2ALDH1A1NPC1RAB9AMAPT
SCHEMBL11083717 0.83 SMN1; SMN2 (0.59) SMN1; SMN2ALDH1A1NPC1RAB9AMAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2016044463-A2 MK2 INHIBITORS AND USES THEREOF CELGENE AVILOMICS RESEARCH, INC. (US) 2016-03-24 WO disclosed
US-20080293745-A1 New amino-alkyl-amide derivatives as CCR3 receptor ligands SANOFI-AVENTIS (FR) 2008-11-27 US disclosed
US-20080293745-A1 New amino-alkyl-amide derivatives as CCR3 receptor ligands SANOFI-AVENTIS (FR) 2008-11-27 US disclosed
WO-2007034251-A1 AMINO-ALKYL-AMIDE DERIVATIVES AS CCR3 RECEPTOR LIGANDS SANOFI-AVENTIS (FR) 2007-03-29 WO disclosed
US-6800630-B2 CYTOSTATIC ACTIVITY, INHIBITORY ACTIVITY AGAINST A SIGNAL DERIVED FROM RAS ONCOGENE PRODUCTS SHIONOGI & CO., LTD. (JP) 2004-10-05 US disclosed
EP-1251129-B1 PYRIMIDINE DERIVATIVES HAVING ANTITUMOR EFFECT SHIONOGI & CO (JP) 2004-06-09 EP disclosed
US-20030203894-A1 Pyrimidine derivatives having antitumor effect SHIONOGI & CO., LTD. (JP) 2003-10-30 US disclosed
EP-1251129-A1 PYRIMIDINE DERIVATIVES HAVING ANTITUMOR EFFECT SHIONOGI & CO., LTD. (JP) 2002-10-23 EP disclosed
US-4950648-A SUBSTITUTED PYRIDO(2,3-D) OR PYRIMIDO(4,5-D) PYRIMIDINE MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 1990-08-21 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 (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-20030203894-A1 Pyrimidine derivatives having antitumor effect TYMS, TYMP, RRM1 SMN1; SMN2 4069/4885ALDH1A1 1562/4885NPC1 3114/4885
US-20080293745-A1 New amino-alkyl-amide derivatives as CCR3 receptor ligands CCR3, CCR1, CCR4 SMN1; SMN2 2232/4885ALDH1A1 1778/4885NPC1 468/4885

“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.