SCHEMBL3664060

SCHEMBL3664060

CNC(=O)c1cc(I)cc(C)c1N

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.42
TP53 P04637 2/20 0.35
IKBKB O14920 2/20 0.35
GAA P10253 2/20 0.34
MAPT P10636 3/20 0.34
HPGD P15428 1/20 0.34
HTT P42858 1/20 0.34
HSD17B10 Q99714 1/20 0.34
NEU3 Q9UQ49 1/20 0.33
PLK1 P53350 2/20 0.33
MAP2K2 P36507 1/20 0.32
MAP2K1 Q02750 1/20 0.32
JAK2 O60674 1/20 0.32
JAK1 P23458 1/20 0.32
TYK2 P29597 1/20 0.32
JAK3 P52333 1/20 0.32
BAZ2B Q9UIF8 1/20 0.32
MAPK14 Q16539 1/20 0.32
ALDH1A1 P00352 2/20 0.31
TDP1 Q9NUW8 2/20 0.31

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
SCHEMBL1314957 0.81 KDM4E (0.39) KDM4EHPGDJAK2MAPK14ALDH1A1
SCHEMBL317253 0.81 POLB (0.41) KDM4EGAAMAPTHPGDJAK2
SCHEMBL25356937 0.81 CREBBP (0.35) TP53IKBKBGAAMAPTNEU3
SCHEMBL4605842 0.79 KDM4E (0.46) KDM4ETP53GAAMAPTHPGD
SCHEMBL857080 0.79 KDM4E (0.66) KDM4ETP53GAAMAPTHPGD
SCHEMBL25295693 0.79 KDM4E (0.47) KDM4EGAAMAPTHPGDHSD17B10
SCHEMBL384330 0.79 KDM4E (0.42) KDM4EIKBKBGAAJAK2ALDH1A1
SCHEMBL634151 0.79 KDM4E (0.42) KDM4EIKBKBGAAMAPTHPGD
Hydrochloric Acid SCHEMBL30808427 0.77 KDM4E (0.41) KDM4EIKBKBGAAJAK2ALDH1A1
SCHEMBL31428183 0.75 KDM4E (0.42) KDM4ETP53IKBKBGAANEU3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2231592-B1 PROCESS FOR PREPARING 2-AMINO-5-CYANOBENZOIC ACID DERIVATIVES DU PONT (US) 2016-02-17 EP disclosed
US-8247570-B2 Process for preparing 2-amino-5-cyanobenzoic acid derivatives E. I. DU PONT DE NEMOURS AND COMPANY (US) 2012-08-21 US disclosed
US-20120130080-A1 PROCESS FOR PREPARING 2-AMINO-5-CYANOBENZOIC ACID DERIVATIVES FMC CORPORATION 2012-05-24 US disclosed
EP-2231592-A1 PROCESS FOR PREPARING 2-AMINO-5-CYANOBENZOIC ACID DERIVATIVES E. I. du Pont de Nemours and Company (US) 2010-09-29 EP disclosed
WO-2009085816-A1 PROCESS FOR PREPARING 2-AMINO-5-CYANOBENZOIC ACID DERIVATIVES E. I. DU PONT DE NEMOURS AND COMPANY (US) 2009-07-09 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 (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-20120130080-A1 PROCESS FOR PREPARING 2-AMINO-5-CYANOBENZOIC ACID DERIVATIVES C9, CLIC4, C5 KDM4E 1061/4885TP53 4486/4885IKBKB 1646/4885

“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.