SCHEMBL17299130

SCHEMBL17299130

Nc1nc(I)c(I)nc1N

nearest known ligand 0.39

Predicted protein targets (top 9)

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
PLAU P00749 2/20 0.31
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
SCHEMBL10414868 0.71 NQO1 (0.50) NQO1KDM4EALDH1A1GAAMAPT
SCHEMBL12674462 0.64 NQO1 (0.44) NQO1KDM4EALDH1A1GAAMAPT
SCHEMBL5925893 0.63 LMNA (0.40) KDM4EALDH1A1PLAULMNA
SCHEMBL17298251 0.61
SCHEMBL14166403 0.58 NQO1 (0.39) NQO1KDM4EALDH1A1GAAMAPT
SCHEMBL9870212 0.58 NQO1 (0.39) NQO1KDM4EALDH1A1GAAMAPT
SCHEMBL11834767 0.58 LMNA (0.43) NQO1KDM4EALDH1A1GAAMAPT
SCHEMBL34472783 0.58 LMNA (0.58) NQO1KDM4EALDH1A1GAAMAPT
SCHEMBL11836648 0.58 LMNA (0.58) NQO1KDM4EALDH1A1GAAMAPT
SCHEMBL31634339 0.58 LMNA (0.43) NQO1KDM4EALDH1A1GAAMAPT

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
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
US-9655965-B2 Radiosensitizer compounds for use in combination with radiation Lu qing-bin (CA) 2017-05-23 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-20160235743-A1 NON-PLATINUM-BASED ANTI-CANCER COMPOUNDS FOR USE IN TARGETED CHEMOTHERAPY Lu qing-bin (CA) 2016-08-18 US disclosed
US-20150343059-A1 RADIOSENSITIZER COMPOUNDS FOR USE IN COMBINATION WITH RADIATION Lu qing-bin (CA) 2015-12-03 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 (3 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-20150343059-A1 RADIOSENSITIZER COMPOUNDS FOR USE IN COMBINATION WITH RADIATION RB1, ERCC2, RBBP7 NQO1 124/4885KDM4E 1183/4885ALDH1A1 172/4885
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.