SCHEMBL4869956

SCHEMBL4869956

Clc1cc(Cl)c2c(c1)CCN2

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.56
KMT2A Q03164 2/20 0.56
L3MBTL1 Q9Y468 1/20 0.56
HTR2A P28223 3/20 0.41
HTR2C P28335 3/20 0.41
HTR2B P41595 3/20 0.41
PARP10 Q53GL7 2/20 0.39
F7 P08709 1/20 0.39
PARP1 P09874 1/20 0.39
F3 P13726 1/20 0.39
PNMT P11086 2/20 0.38
ASIC3 Q9UHC3 1/20 0.37
PARP11 Q9NR21 1/20 0.36
DRD2 P14416 1/20 0.35
DRD4 P21917 1/20 0.35
MAPT P10636 3/20 0.35
ALDH1A1 P00352 3/20 0.35
GAA P10253 2/20 0.35
ALOX12 P18054 2/20 0.35
TDP1 Q9NUW8 2/20 0.35

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
SCHEMBL3713818 0.88 MEN1 (0.49) MEN1KMT2AL3MBTL1HTR2AHTR2C
SCHEMBL4869350 0.79 PARP10 (0.41) MEN1KMT2AL3MBTL1HTR2AHTR2C
SCHEMBL7038907 0.79 KMT2A (0.41) MEN1KMT2AL3MBTL1HTR2AHTR2C
SCHEMBL31159190 0.79 MEN1 (0.41) MEN1KMT2AL3MBTL1HTR2AHTR2C
SCHEMBL24457975 0.79 MEN1 (0.41) MEN1KMT2AL3MBTL1HTR2AHTR2C
SCHEMBL4866774 0.75 ACHE (0.47) MEN1KMT2AL3MBTL1HTR2AHTR2C
SCHEMBL21865762 0.75 PARP10 (0.41) MEN1KMT2AL3MBTL1HTR2AHTR2C
SCHEMBL10661201 0.75 MEN1 (0.38) MEN1KMT2AL3MBTL1HTR2AHTR2C
Hydrochloric Acid SCHEMBL4864345 0.74 ACHE (0.46) MEN1KMT2AL3MBTL1HTR2AHTR2C
SCHEMBL3506059 0.72 ALDH1A1 (0.48) MEN1KMT2AL3MBTL1HTR2AHTR2C

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3286166-B1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE UK NO 5 LTD (GB) 2020-05-13 EP disclosed
US-10221129-B2 Inhibitors of human immunodeficiency virus replication VIIV Healthcare UK (No.5) Limited (GB) 2019-03-05 US disclosed
US-20180086697-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY 2018-03-29 US disclosed
EP-3286166-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2018-02-28 EP disclosed
WO-2016172424-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION BRISTOL-MYERS SQUIBB COMPANY (US) 2016-10-27 WO disclosed
US-7319100-B2 Substituted pyrazinones, pyridines and pyrimidines as corticotropin releasing factor ligands BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2008-01-15 US disclosed
US-20070155740-A1 SUBSTITUTED PYRAZINONES, PYRIDINES AND PYRIMIDINES AS CORTICOTROPIN RELEASING FACTOR LIGANDS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2007-07-05 US disclosed
US-7205306-B2 Substituted pyrazinones, pyridines and pyrimidines as corticotropin releasing factor ligands BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2007-04-17 US disclosed
EP-1392309-B1 SUBSTITUTED PYRAZINONES, PYRIDINES AND PYRIMIDINES AS CORTICOTROPIN RELEASING FACTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2007-01-17 EP disclosed
EP-1392309-A4 SUBSTITUTED PYRAZINONES, PYRIDINES AND PYRIMIDINES AS CORTICOTROPIN RELEASING FACTOR LIGANDS BRISTOL MYERS SQUIBB CO (US) 2006-01-18 EP disclosed
CN-1527710-A Substituted pyrazinones, pyridines and pyrimidines as corticotropin releasing factor ligands ����˹�ж�-����˹˹����ҩƷ��˾ 2004-09-08 CN disclosed
EP-1392309-A1 SUBSTITUTED PYRAZINONES, PYRIDINES AND PYRIMIDINES AS CORTICOTROPIN RELEASING FACTOR LIGANDS BRISTOL-MYERS SQUIBB COMPANY (US) 2004-03-03 EP disclosed
US-20030171380-A1 Substituted pyrazinones, pyridines and pyrimidines as corticotropin releasing factor ligands BRISTOL-MYERS SQUIBB PHARMA COMPANY, (FORMERLY D/B/A DUPONT PHARMACEUTICALS COMPANY) 2003-09-11 US disclosed
WO-2002092090-A1 SUBSTITUTED PYRAZINONES, PYRIDINES AND PYRIMIDINES AS CORTICOTROPIN RELEASING FACTOR LIGANDS BRISTOL-MYERS SQUIBB PHARMA COMPANY (US) 2002-11-21 WO disclosed
US-5736534-A HYPERPROLIFERATIVE DISEASES; INHIBITORS OF PROTEIN-TYROSINE KINASES SUCH AS EPIDERMAL GROWTH FACTOR RECEPTOR; BRAIN, LUNG, BREAST CANCER; PSORIASIS AND BENIGN PROSTATE HYPERPLASIA PFIZER INC. (US) 1998-04-07 US disclosed
EP-0746554-A1 4-HETEROCYCLYL-SUBSTITUTED QUINAZOLINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS ANTI-CANCER AGENTS PFIZER INC. (US) 1996-12-11 EP disclosed
WO-1995023141-A1 4-HETEROCYCLYL-SUBSTITUTED QUINAZOLINE DERIVATIVES, PROCESSES FOR THEIR PREPARATION AND THEIR USE AS ANTI-CANCER AGENTS PFIZER INC. (US) 1995-08-31 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-20030171380-A1 Substituted pyrazinones, pyridines and pyrimidines as corticotropin releasing factor ligands CRH, CRHR1, CRHR2 MEN1 3053/4885KMT2A 4350/4885L3MBTL1 4787/4885
US-10221129-B2 Inhibitors of human immunodeficiency virus replication EIF2AK2, POLR2E, POLR2H MEN1 4300/4885KMT2A 3450/4885L3MBTL1 2208/4885
US-20070155740-A1 SUBSTITUTED PYRAZINONES, PYRIDINES AND PYRIMIDINES AS CORTICOTROPIN RELEASING FACTOR LIGANDS CRH, CRHR1, CRHR2 MEN1 3305/4885KMT2A 4301/4885L3MBTL1 4801/4885
US-20180086697-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION EIF2AK2, POLR2E, POLR2H MEN1 4300/4885KMT2A 3450/4885L3MBTL1 2208/4885

“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.