SCHEMBL17154377

SCHEMBL17154377

Nc1ccc(Nc2c3ccccc3nc3ccccc23)cc1Br

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 11/20 0.62
KMT2A Q03164 4/20 0.54
POLB P06746 3/20 0.54
MEN1 O00255 2/20 0.54
RAD52 P43351 2/20 0.54
GFER P55789 2/20 0.54
KDM4E B2RXH2 2/20 0.51
GLA P06280 2/20 0.51
MAPT P10636 1/20 0.51
MAPK1 P28482 1/20 0.51
HTT P42858 1/20 0.51
NPSR1 Q6W5P4 1/20 0.51
TDP1 Q9NUW8 1/20 0.51
ALDH1A1 P00352 1/20 0.51
GAA P10253 1/20 0.51
SMN1; SMN2 Q16637 1/20 0.51
TOP2A P11388 2/20 0.50
TOP2B Q02880 2/20 0.50
HDAC4 P56524 2/20 0.50
HDAC7 Q8WUI4 2/20 0.50

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
SCHEMBL18407155 0.86 KDM1A (0.68) KDM1AKMT2APOLBMEN1RAD52
SCHEMBL6792609 0.85 KDM1A (0.62) KDM1AKMT2APOLBMEN1RAD52
SCHEMBL17154379 0.84 KDM1A (0.61) KDM1AKMT2APOLBMEN1RAD52
SCHEMBL6882649 0.79 KDM1A (0.62) KDM1AKMT2APOLBMEN1RAD52
SCHEMBL18407160 0.78 L3MBTL1 (0.60) KDM1AKMT2APOLBMEN1RAD52
SCHEMBL17154368 0.77 KMT2A (0.53) KMT2APOLBMEN1GFERKDM4E
SCHEMBL15673394 0.77 KDM1A (0.75) KDM1AKMT2APOLBMEN1RAD52
SCHEMBL17154450 0.77 KDM1A (1.00) KDM1AKMT2APOLBMEN1RAD52
SCHEMBL17154397 0.76 KDM1A (0.68) KDM1AKMT2APOLBMEN1RAD52
SCHEMBL18407164 0.76 TOP2A (0.73) KDM1AKMT2APOLBMEN1RAD52

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20170022166-A1 NOVEL HDMX INHIBITORS AND THEIR USE FOR CANCER TREATMENT MIRX PHARMACEUTICALS LLC (US) 2017-01-26 US disclosed
US-20170022166-A1 NOVEL HDMX INHIBITORS AND THEIR USE FOR CANCER TREATMENT MIRX PHARMACEUTICALS LLC (US) 2017-01-26 US disclosed
WO-2015153535-A1 NOVEL HDMX INHIBITORS AND THEIR USE FOR CANCER TREATMENT MiRx Pharmaceuticals, LLC (US) 2015-10-08 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 (1 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-20170022166-A1 NOVEL HDMX INHIBITORS AND THEIR USE FOR CANCER TREATMENT TP53, DDX3X, API5 KDM1A 702/4885KMT2A 1544/4885POLB 3707/4885

“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.