SCHEMBL11834767

SCHEMBL11834767

Nc1nc(Br)c(Br)nc1N

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LMNA P02545 2/20 0.43
NQO1 P15559 1/20 0.39
KDM4E B2RXH2 4/20 0.36
MAPT P10636 3/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MAPK1 P28482 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
HPGD P15428 3/20 0.35
ALDH1A1 P00352 2/20 0.35
HSD17B10 Q99714 2/20 0.35
GAA P10253 1/20 0.35
CSNK2A2 P19784 2/20 0.32
CSNK2B P67870 2/20 0.32
CSNK2A1 P68400 2/20 0.32
CYP3A4 P08684 2/20 0.31
CYP1A2 P05177 1/20 0.31
CYP2C19 P33261 1/20 0.31
HTT P42858 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
IDO1 P14902 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
SCHEMBL31634339 1.00 LMNA (0.43) LMNANQO1KDM4EMAPTL3MBTL1
SCHEMBL11601454 0.85 PLAU (0.37) LMNAKDM4EMAPTL3MBTL1MAPK1
SCHEMBL11603392 0.77 KDM4E (0.30) KDM4EMAPTL3MBTL1MAPK1TDP1
SCHEMBL17298238 0.77 LMNA (0.46) LMNAKDM4EMAPTL3MBTL1MAPK1
SCHEMBL12158710 0.72 LMNA (0.41) LMNANQO1KDM4EMAPTHPGD
SCHEMBL67272 0.72 PLAU (0.43) LMNANQO1KDM4EMAPTL3MBTL1
SCHEMBL11607518 0.71
SCHEMBL10414868 0.71 NQO1 (0.50) LMNANQO1KDM4EMAPTTDP1
SCHEMBL31484427 0.68 LMNA (0.44) LMNAIDO1
SCHEMBL28468532 0.68 LMNA (0.44) LMNAKDM4EALDH1A1IDO1PLAU

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-3987044-A SEPARATION OF 2,3-DIAMINO-DIHALOPYRAZINES FROM MIXTURES AS NOVEL ASSOCIATION PRODUCTS WITH CERTAIN KETONES THE DOW CHEMICAL COMPANY (US) 1976-10-19 US claimed
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-20150343059-A1 RADIOSENSITIZER COMPOUNDS FOR USE IN COMBINATION WITH RADIATION Lu qing-bin (CA) 2015-12-03 US disclosed
US-3987044-A SEPARATION OF 2,3-DIAMINO-DIHALOPYRAZINES FROM MIXTURES AS NOVEL ASSOCIATION PRODUCTS WITH CERTAIN KETONES THE DOW CHEMICAL COMPANY (US) 1976-10-19 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 LMNA 3558/4885NQO1 639/4885KDM4E 1734/4885
US-20150343059-A1 RADIOSENSITIZER COMPOUNDS FOR USE IN COMBINATION WITH RADIATION RB1, ERCC2, RBBP7 LMNA 3136/4885NQO1 124/4885KDM4E 1183/4885
US-20160235743-A1 NON-PLATINUM-BASED ANTI-CANCER COMPOUNDS FOR USE IN TARGETED CHEMOTHERAPY TOP2B, POLR2B, RB1 LMNA 3558/4885NQO1 639/4885KDM4E 1734/4885

“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.