SCHEMBL7121650

SCHEMBL7121650

c1ccc2c(Nc3ccc(N4CCNCC4)cc3)c3ccccc3nc2c1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM1A O60341 15/20 1.00
ADRA2A P08913 5/20 0.71
ADRA2C P18825 5/20 0.71
ADRA2B P18089 3/20 0.71
GLA P06280 1/20 0.71
SLC2A1 P11166 1/20 0.71
RECQL P46063 1/20 0.71
BLM P54132 1/20 0.71
TDP1 Q9NUW8 1/20 0.71
ADRB2 P07550 1/20 0.68
CHRM2 P08172 1/20 0.68
CHRM1 P11229 1/20 0.68
DRD1 P21728 1/20 0.68
SLC6A2 P23975 1/20 0.68
ADRA1D P25100 1/20 0.68
HTR1D P28221 1/20 0.68
SLC6A4 P31645 1/20 0.68
HTR7 P34969 1/20 0.68
ADRA1A P35348 1/20 0.68
HRH1 P35367 1/20 0.68

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
SCHEMBL7124492 0.87 KDM1A (0.79) KDM1AADRA2AADRA2CADRA2BGLA
SCHEMBL7124493 0.86 KDM1A (0.77) KDM1AADRA2AADRA2CADRA2BGLA
SCHEMBL7121656 0.84 KDM1A (1.00) KDM1AADRA2AADRA2CADRA2BGLA
SCHEMBL1664525 0.83 KDM1A (1.00) KDM1AADRA2AADRA2CADRA2BGLA
SCHEMBL7122730 0.81 KDM1A (0.72) KDM1AADRA2AADRA2CADRA2BGLA
SCHEMBL27965099 0.80 ADRB1 (0.68) KDM1ATDP1ADRB2SLC6A2HTR7
SCHEMBL7118679 0.80 KDM1A (0.70) KDM1AADRA2AADRA2CADRA2BGLA
SCHEMBL7126115 0.80 KDM1A (0.74) KDM1AADRA2AADRA2CADRA2BGLA
SCHEMBL7124431 0.79 KDM1A (0.73) KDM1AADRA2AADRA2CADRA2BGLA
SCHEMBL14389067 0.79 KDM1A (0.84) KDM1AADRA2AADRA2CADRA2BGLA

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 9 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
US-20030225078-A1 Derivatives of quinoline as alpha-2 antagonists ORION CORPORATION 2003-12-04 US disclosed
US-6593324-B2 P-aminoanilino- derivatives ORION CORPORATION (FI) 2003-07-15 US disclosed
EP-1263733-A2 DERIVATIVES OF QUINOLINE AS ALPHA-2 ANTAGONISTS ORION CORPORATION FARMOS (FI) 2002-12-11 EP disclosed
US-20010046991-A1 Derivatives of quinoline as alpha-2 antagonists OY JUVANTIA PHARMA LTD. (FI) 2001-11-29 US disclosed
WO-2001064645-A2 DERIVATIVES OF QUINOLINE AS ALPHA-2 ANTAGONISTS ORION CORPORATION (FI) 2001-09-07 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 (4 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 702/4885ADRA2A 4844/4885ADRA2C 4837/4885
US-20030225078-A1 Derivatives of quinoline as alpha-2 antagonists ADRB2, ADRA2A, ADRB1 KDM1A 1512/4885ADRA2A 2/4885ADRA2C 6/4885
US-10183912-B2 HDMX inhibitors and their use for cancer treatment TP53, MDM4, MDM2 KDM1A 650/4885ADRA2A 4833/4885ADRA2C 4834/4885
US-20010046991-A1 Derivatives of quinoline as alpha-2 antagonists ADRB2, ADRA2A, ADRB1 KDM1A 1512/4885ADRA2A 2/4885ADRA2C 6/4885

“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.