SCHEMBL2262880

SCHEMBL2262880

CCOC(=O)C(C=Nc1ccc[nH]c1=O)C(=O)OCC

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.38
KDM4E B2RXH2 3/20 0.38
MEN1 O00255 3/20 0.38
GAA P10253 3/20 0.38
BLM P54132 3/20 0.38
POLB P06746 2/20 0.38
L3MBTL1 Q9Y468 2/20 0.38
MAPT P10636 2/20 0.38
THRB P10828 2/20 0.38
TSHR P16473 1/20 0.35
NAPRT Q6XQN6 1/20 0.34
ALDH1A1 P00352 3/20 0.34
HPGD P15428 3/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 2/20 0.34
PIN1 Q13526 1/20 0.33
DAO P14920 1/20 0.33
HSD17B10 Q99714 1/20 0.33
TDP2 O95551 1/20 0.32
NSD2 O96028 1/20 0.32

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
SCHEMBL2262877 1.00 KMT2A (0.38) KMT2AKDM4EMEN1GAABLM
SCHEMBL3651280 0.72 PIN1 (0.46) KMT2AKDM4EMEN1POLBMAPT
SCHEMBL3651278 0.72 PIN1 (0.46) KMT2AKDM4EMEN1POLBMAPT
SCHEMBL14747467 0.69 MAPT (0.43) KMT2AKDM4EMEN1GAAPOLB
SCHEMBL14706497 0.68 MAPT (0.44) KMT2AKDM4EMEN1GAAL3MBTL1
SCHEMBL31251327 0.68 DGAT1 (0.35) KMT2AKDM4EGAAPOLBL3MBTL1
SCHEMBL930113 0.67 TSHR (0.61) KMT2AKDM4EMEN1GAAMAPT
SCHEMBL2263335 0.66 HDAC3 (0.48) KMT2AKDM4EMEN1GAABLM
SCHEMBL2263342 0.66 HDAC3 (0.48) KMT2AKDM4EMEN1GAABLM
Hydrochloric Acid SCHEMBL4428342 0.66 TSHR (0.59) KMT2AKDM4EMEN1GAAMAPT

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
US-8440674-B2 Substituted pyrimidine compounds as RAF inhibitors and methods of use AMGEN INC. (US) 2013-05-14 US disclosed
EP-1976836-B9 NITROGEN-CONTAINING BICYCLIC HETEROARYL COMPOUNDS FOR THE TREATMENT OF RAF PROTEIN KINASE-MEDIATED DISEASES AMGEN INC (US) 2013-02-06 EP disclosed
EP-1976836-B1 NITROGEN-CONTAINING BICYCLIC HETEROARYL COMPOUNDS FOR THE TREATMENT OF RAF PROTEIN KINASE-MEDIATED DISEASES AMGEN INC (US) 2012-08-22 EP disclosed
EP-2481729-A1 Nintrogen-containing bicyclic heteroaryl compounds for the treatment of RAF protein kinase-mediated diseases Amgen Inc. (US) 2012-08-01 EP disclosed
US-20110251199-A1 NITROGEN-CONTAINING BICYCLIC HETEROARYL COMPOUNDS AND METHODS OF USE AMGEN INC. (US) 2011-10-13 US disclosed
US-7989461-B2 Substituted quinazolinamine compounds for the treatment of cancer AMGEN INC. (US) 2011-08-02 US disclosed
US-20070185324-A1 Nitrogen-containing bicyclic heteroaryl compounds and methods of use AMGEN INC. 2007-08-09 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-20110251199-A1 NITROGEN-CONTAINING BICYCLIC HETEROARYL COMPOUNDS AND METHODS OF USE BRAF, RAF1, NRAS KMT2A 1198/4885KDM4E 1845/4885MEN1 952/4885
US-20070185324-A1 Nitrogen-containing bicyclic heteroaryl compounds and methods of use BRAF, NRAS, RAF1 KMT2A 1154/4885KDM4E 1653/4885MEN1 951/4885

“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.