SCHEMBL17154453

SCHEMBL17154453

Nc1ccc(Nc2c3ccc(N)cc3nc3cc(N)ccc23)cc1

nearest known ligand 0.69

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 8/20 0.69
TERT O14746 4/20 0.52
MDM4 O15151 1/20 0.49
KMT2A Q03164 2/20 0.45
MEN1 O00255 1/20 0.45
F2 P00734 1/20 0.45
LMNA P02545 1/20 0.45
CHRM2 P08172 1/20 0.45
HTR1A P08908 1/20 0.45
ADRA2A P08913 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
MAOA P21397 1/20 0.45
DRD1 P21728 1/20 0.45
ACHE P22303 1/20 0.45
PTGS1 P23219 1/20 0.45
SLC6A2 P23975 1/20 0.45
SLC6A4 P31645 1/20 0.45
OPRM1 P35372 1/20 0.45
DRD3 P35462 1/20 0.45
KDR P35968 1/20 0.45

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
SCHEMBL17154394 0.92 KDM1A (0.84) KDM1AKMT2AMEN1LMNAACHE
SCHEMBL17154363 0.91 KDM1A (0.58) KDM1ATERTMDM4KMT2ALMNA
SCHEMBL31312578 0.86 KDM1A (0.64) KDM1ATERT
SCHEMBL3366281 0.83 KDM1A (0.66) KDM1ATERTKMT2ALMNAKDR
SCHEMBL17154450 0.81 KDM1A (1.00) KDM1AKMT2AMEN1LMNAACHE
SCHEMBL17154448 0.80 KMT2A (0.62) KDM1ATERTKMT2AMEN1ACHE
SCHEMBL17154449 0.79 HTT (0.51) KDM1AKMT2ALMNAHTTPOLB
SCHEMBL17154399 0.78 KDM1A (0.62) KDM1AKMT2AMEN1LMNAACHE
SCHEMBL31237457 0.78 KDM1A (0.78) KDM1AKMT2ALMNAKCNH2TOP2A
SCHEMBL17154366 0.76 KMT2A (0.60) KDM1AKMT2AMEN1ACHEHTT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10183912-B2 HDMX inhibitors and their use for cancer treatment MiRx Pharmaceuticals, LLC (US) 2019-01-22 US disclosed
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 (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-20170022166-A1 NOVEL HDMX INHIBITORS AND THEIR USE FOR CANCER TREATMENT TP53, DDX3X, API5 KDM1A 702/4885TERT 1110/4885MDM4 4/4885
US-10183912-B2 HDMX inhibitors and their use for cancer treatment TP53, MDM4, MDM2 KDM1A 650/4885TERT 1268/4885MDM4 2/4885

“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.