SCHEMBL2212460

SCHEMBL2212460

CNC(C)C(=O)Nc1cncn(Cc2cncc(C(=O)c3ccc(F)cc3)c2)c1=O

nearest known ligand 0.38

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MAP4K1 Q92918 10/20 0.38
CYP11B1 P15538 1/20 0.36
CYP11B2 P19099 1/20 0.36
HSD17B13 Q7Z5P4 1/20 0.35
NTRK1 P04629 2/20 0.35
KMT2A Q03164 2/20 0.35
KDM4E B2RXH2 1/20 0.35
MEN1 O00255 1/20 0.35
ALDH1A1 P00352 1/20 0.35
NPSR1 Q6W5P4 1/20 0.35
XIAP P98170 1/20 0.35
THRB P10828 1/20 0.34
RXFP1 Q9HBX9 1/20 0.34
BRD4 O60885 1/20 0.34
PTGER3 P43115 1/20 0.34

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
SCHEMBL2208916 1.00 MAP4K1 (0.38) MAP4K1CYP11B1CYP11B2HSD17B13NTRK1
SCHEMBL1324469 0.89 ALDH1A1 (0.47) KMT2AKDM4EMEN1ALDH1A1NPSR1
SCHEMBL1324471 0.89 ALDH1A1 (0.47) KMT2AKDM4EMEN1ALDH1A1NPSR1
SCHEMBL3825827 0.83 NTRK1 (0.38) NTRK1THRBRXFP1
SCHEMBL2211274 0.82 ELANE (0.42) NTRK1ALDH1A1
SCHEMBL2211280 0.82 ELANE (0.42) NTRK1ALDH1A1
SCHEMBL3611030 0.82 CNR2 (0.35) NTRK1XIAPTHRBRXFP1
SCHEMBL2209975 0.82 NTRK1 (0.37) NTRK1KMT2AKDM4EMEN1ALDH1A1
SCHEMBL2209965 0.82 NTRK1 (0.37) NTRK1KMT2AKDM4EMEN1ALDH1A1
SCHEMBL1323051 0.82 CNR2 (0.35) NTRK1XIAPTHRBRXFP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110319614-A1 Organic Compounds NOVARTIS AG (CH) 2011-12-29 US claimed
EP-2099769-B1 6-OXO.-1, 6-DIHYDROPYRIMIDIN-2-YLS IN THE TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2011-07-27 EP claimed
CN-101535273-A 6-oxo.-1, 6-dihydropyrimidin-2-yls in the treatment of proliferative diseases NOVARTIS AG (CH) 2009-09-16 CN claimed
US-8048886-B2 Substituted pyrazine-3-one-derivatives as IAP inhibitors NOVARTIS AG (CH) 2011-11-01 US disclosed
EP-2099769-B1 6-OXO.-1, 6-DIHYDROPYRIMIDIN-2-YLS IN THE TREATMENT OF PROLIFERATIVE DISEASES NOVARTIS AG (CH) 2011-07-27 EP disclosed
US-20100249405-A1 Organic Compounds NOVARTIS AG 2010-09-30 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-20110319614-A1 Organic Compounds XIAP, BIRC5, BIRC3 MAP4K1 3283/4885CYP11B1 796/4885CYP11B2 1159/4885
US-20100249405-A1 Organic Compounds XIAP, BIRC5, BIRC3 MAP4K1 3283/4885CYP11B1 796/4885CYP11B2 1159/4885

“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.