SCHEMBL4870530

SCHEMBL4870530

Brc1cc(Br)c2c(c1)CCN2

nearest known ligand 0.43

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
PARP10 Q53GL7 2/20 0.43
PARP11 Q9NR21 1/20 0.43
PARP1 P09874 1/20 0.39
PNMT P11086 1/20 0.38
ASIC3 Q9UHC3 1/20 0.38
ALDH1A1 P00352 1/20 0.36
MAPT P10636 1/20 0.36
HTR2A P28223 2/20 0.32
HTR2C P28335 2/20 0.32
HTR2B P41595 2/20 0.32
CYP3A4 P08684 1/20 0.32
TSHR P16473 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
DRD2 P14416 1/20 0.31
DRD4 P21917 1/20 0.31
PRNP P04156 1/20 0.31
RXFP1 Q9HBX9 1/20 0.31

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
SCHEMBL7096437 0.88 PRNP (0.36) PARP10PARP11PARP1PNMTASIC3
SCHEMBL4869350 0.79 PARP10 (0.41) PARP10PARP11PARP1PNMTASIC3
SCHEMBL2880311 0.79 PARP10 (0.41) PARP10PARP11PARP1PNMTASIC3
SCHEMBL12525236 0.79 PARP10 (0.41) PARP10PARP11PARP1PNMTASIC3
SCHEMBL8648955 0.79 PARP10 (0.41) PARP10PARP11PARP1PNMTASIC3
SCHEMBL7218785 0.76 ACHE (0.48) ALDH1A1MAPTHTR2AHTR2CHTR2B
SCHEMBL3345163 0.76 PARP10 (0.39) PARP10PARP11PARP1PNMTASIC3
SCHEMBL12525232 0.75 HTR2C (0.46) PARP10PARP11PARP1MAPTHTR2A
Hydrochloric Acid SCHEMBL4866638 0.75 ACHE (0.47) ALDH1A1MAPTHTR2AHTR2CHTR2B
SCHEMBL28204154 0.75 PARP10 (0.38) PARP10PARP11PARP1PNMTASIC3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
US-6525056-B2 A fused nitrogen containing heterocyclic compound useful for treating psychiatric and neurological disorders, anxiety, post-traumatic stress, supranuclear palsy, feeding, immunological, cardiovascular and hypersensitivity disorders BRISTOL-MYERS SQUIBB COMPANY 2003-02-25 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
EP-1012151-B1 HETEROCYCLYL-SUBSTITUTED RING-FUSED PYRIDINES AND PYRIMIDINES AS CORTICOTROPIN RELEASING HORMONE (CRH) ANTAGONISTS, USEFUL FOR TREATING CNS AND STRESS-RELATED DISORDERS BRISTOL MYERS SQUIBB PHARMA CO (US) 2002-08-07 EP disclosed
US-20010025042-A1 Heterocyclyl-substituted ring-fused pyridines and pyrimidines as corticotropin releasing hormone (CRH) antagonists, useful for treating cns and stress-related disorders BRISTOL-MYERS SQUIBB PHARMA COMPANY 2001-09-27 US disclosed
US-6245769-B1 Heterocyclyl-substituted ring-fused pyridines and pyrimidines as corticotropin releasing hormone(CRH) antagonists, useful for treating CNS and stress-related disorders DUPONT PHARMACEUTICALS COMPANY 2001-06-12 US disclosed
CN-1278819-A Heterocyclyl-substituted ring-fused pyridines and pyrimidines as corticotropin releasing hormone (crh) antagonists, useful for treating and stress-related DU PONT PHARM CO (US) 2001-01-03 CN disclosed
EP-1012151-A1 HETEROCYCLYL-SUBSTITUTED RING-FUSED PYRIDINES AND PYRIMIDINES AS CORTICOTROPIN RELEASING HORMONE (CRH) ANTAGONISTS, USEFUL FOR TREATING CNS AND STRESS-RELATED DISORDERS Dupont Pharmaceuticals Company (US) 2000-06-28 EP disclosed
WO-1999011643-A1 HETEROCYCLYL-SUBSTITUTED RING-FUSED PYRIDINES AND PYRIMIDINES AS CORTICOTROPIN RELEASING HORMONE (CRH) ANTAGONISTS, USEFUL FOR TREATING CNS AND STRESS-RELATED DISORDERS DU PONT PHARMACEUTICALS COMPANY (US) 1999-03-11 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 (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-20030171380-A1 Substituted pyrazinones, pyridines and pyrimidines as corticotropin releasing factor ligands CRH, CRHR1, CRHR2 PARP10 3194/4885PARP11 3706/4885PARP1 3808/4885
US-20070155740-A1 SUBSTITUTED PYRAZINONES, PYRIDINES AND PYRIMIDINES AS CORTICOTROPIN RELEASING FACTOR LIGANDS CRH, CRHR1, CRHR2 PARP10 3101/4885PARP11 3736/4885PARP1 3794/4885
US-20010025042-A1 Heterocyclyl-substituted ring-fused pyridines and pyrimidines as corticotropin releasing hormone (CRH) antagonists, useful for treating cns and stress-related disorders CRH, CRHR1, CRHR2 PARP10 1661/4885PARP11 1248/4885PARP1 1245/4885

“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.