SCHEMBL17299129

SCHEMBL17299129

Nc1cc(I)c(I)nc1N

nearest known ligand 0.33

Predicted protein targets (top 1)

geneUniProtsupporting neighboursconfidence
▸ NQO1 P15559 1/20 0.33

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
SCHEMBL15330049 0.75 TDP1 (0.34) NQO1
SCHEMBL12478198 0.75 GAA (0.43) NQO1
SCHEMBL17298246 0.75 NOS3 (0.38) NQO1
SCHEMBL296626 0.70 PTK2 (0.50) NQO1
Hydrochloric Acid SCHEMBL22686894 0.67 PTK2 (0.47) NQO1
Hydrochloric Acid SCHEMBL5861979 0.67 PTK2 (0.47) NQO1
Hydrochloric Acid SCHEMBL5051825 0.67 PTK2 (0.47) NQO1
SCHEMBL17299130 0.66 NQO1 (0.39) NQO1
SCHEMBL29534248 0.66 PTK2 (0.54) —
SCHEMBL10027390 0.66 PTK2 (0.43) —

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
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 639/4885
US-20150343059-A1 RADIOSENSITIZER COMPOUNDS FOR USE IN COMBINATION WITH RADIATION RB1, ERCC2, RBBP7 NQO1 124/4885
US-20160235743-A1 NON-PLATINUM-BASED ANTI-CANCER COMPOUNDS FOR USE IN TARGETED CHEMOTHERAPY TOP2B, POLR2B, RB1 NQO1 639/4885

“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.

Send feedback