SCHEMBL14166403

SCHEMBL14166403

Nc1nc(F)c(F)nc1N

nearest known ligand 0.39

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
NQO1 P15559 1/20 0.39
KDM4E B2RXH2 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
MAPT P10636 1/20 0.35
HPGD P15428 1/20 0.35
HSD17B10 Q99714 1/20 0.35
LMNA P02545 1/20 0.30

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
SCHEMBL18033356 0.77 LMNA (0.35) KDM4EALDH1A1LMNA
SCHEMBL6003621 0.72 NQO1 (0.30) NQO1
SCHEMBL10414868 0.71 NQO1 (0.50) NQO1KDM4EALDH1A1GAAMAPT
SCHEMBL4311227 0.71 MEN1 (0.33) MAPT
SCHEMBL29435286 0.68 KHK (0.42) NQO1ALDH1A1LMNA
SCHEMBL29181848 0.68 LMNA (0.33) LMNA
SCHEMBL7171640 0.66 LMNA (0.32) LMNA
SCHEMBL10871601 0.66 MEN1 (0.34) GAA
SCHEMBL5925787 0.66
SCHEMBL17156504 0.66 MEN1 (0.34) GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3578176-A1 NON-PLATINUM-BASED ANTI-CANCER COMPOUNDS FOR USE IN TARGETED CHEMOTHERAPY Lu, Qing-Bin (CA) 2019-12-11 EP disclosed
US-10463662-B2 Non-platinum-based anti-cancer compounds for use in targeted chemotherapy LU QING BIN (CA) 2019-11-05 US disclosed
EP-2718978-B1 ORGANIC ELECTRONIC DEVICE NOVALED GMBH (DE) 2018-05-16 EP disclosed
US-20160235743-A1 NON-PLATINUM-BASED ANTI-CANCER COMPOUNDS FOR USE IN TARGETED CHEMOTHERAPY Lu qing-bin (CA) 2016-08-18 US disclosed
US-20160235743-A1 NON-PLATINUM-BASED ANTI-CANCER COMPOUNDS FOR USE IN TARGETED CHEMOTHERAPY Lu qing-bin (CA) 2016-08-18 US disclosed
US-9142781-B2 Compound for organic electronic device NOVALED AG (DE) 2015-09-22 US disclosed
WO-2015051458-A1 NON-PLATIMUN-BASED ANTI-CANCER COMPOUNDS FOR USE IN TARGETED CHEMOTHERAPY Lu qing-bin (CA) 2015-04-16 WO disclosed
US-20140174537-A1 Compound for Organic Electronic Device NOVALED AG (DE) 2014-06-26 US disclosed
EP-2718978-A1 COMPOUND FOR ORGANIC ELECTRONIC DEVICE Novaled AG (DE) 2014-04-16 EP disclosed
WO-2012168358-A1 COMPOUND FOR ORGANIC ELECTRONIC DEVICE NOVALED AG (DE) 2012-12-13 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 (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-10463662-B2 Non-platinum-based anti-cancer compounds for use in targeted chemotherapy TOP2B, POLR2B, RB1 NQO1 639/4885KDM4E 1734/4885ALDH1A1 893/4885
US-20160235743-A1 NON-PLATINUM-BASED ANTI-CANCER COMPOUNDS FOR USE IN TARGETED CHEMOTHERAPY TOP2B, POLR2B, RB1 NQO1 639/4885KDM4E 1734/4885ALDH1A1 893/4885

“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.