SCHEMBL393320

SCHEMBL393320

O=C1N=C(O)c2cc(Br)ccc21

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BCL2 P10415 2/20 0.50
MCL1 Q07820 1/20 0.50
S100A4 P26447 1/20 0.48
CA1 P00915 1/20 0.46
CA2 P00918 1/20 0.46
CA4 P22748 1/20 0.46
CA7 P43166 1/20 0.46
CA9 Q16790 1/20 0.46
ESR1 P03372 1/20 0.43
ESR2 Q92731 1/20 0.43
PTPRC P08575 1/20 0.42
LCK P06239 1/20 0.39
METAP1 P53582 1/20 0.38
GSK3A P49840 2/20 0.36
GSK3B P49841 2/20 0.36
TGM2 P21980 1/20 0.36
CES1 P23141 1/20 0.36
MEN1 O00255 1/20 0.36
POLB P06746 1/20 0.36
KMT2A Q03164 1/20 0.36

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
SCHEMBL20529361 0.76 S100A4 (0.48) BCL2MCL1S100A4CA1CA2
SCHEMBL29775081 0.76 S100A4 (0.48) BCL2MCL1S100A4CA1CA2
Hydrochloric Acid SCHEMBL2097036 0.74 S100A4 (0.47) BCL2MCL1S100A4CA1CA2
SCHEMBL6773808 0.74 S100A4 (0.56) BCL2MCL1S100A4CA1CA2
SCHEMBL4141951 0.74 S100A4 (0.56) BCL2MCL1S100A4CA1CA2
SCHEMBL3485419 0.72 S100A4 (0.48) BCL2MCL1S100A4CA1CA2
SCHEMBL17141524 0.72 S100A4 (0.48) BCL2MCL1S100A4CA1CA2
SCHEMBL29099573 0.72 S100A4 (0.44) BCL2MCL1S100A4CA1CA2
Phthalimide SCHEMBL1388700 0.72 APAF1 (0.44) BCL2MCL1S100A4CA1CA2
Hydrochloric Acid SCHEMBL2099531 0.71 S100A4 (0.47) BCL2MCL1S100A4CA1CA2

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-20240327375-A1 SUBSTITUTED HETEROBICYCLIC DERIVATIVES AS NEGATIVE ALLOSTERIC MODULATORS OF MGLU7 RECEPTOR ADDEX PHARMA S.A. (CH) 2024-10-03 US disclosed
EP-4337643-A1 SUBSTITUTED HETEROBICYCLIC DERIVATIVES AS NEGATIVE ALLOSTERIC MODULATORS OF MGLU7 RECEPTOR Addex Pharma S.A (CH) 2024-03-20 EP disclosed
CN-117597331-A Substituted heterobicyclic derivatives as MGLU7 receptor negative allosteric modulators 阿德克斯法尔马股份公司 2024-02-23 CN disclosed
EP-1856058-B1 PHTHALAZINE, AZA- AND DIAZA-PHTHALAZINE COMPOUNDS AND METHODS OF USE AMGEN INC (US) 2014-09-03 EP disclosed
US-8101612-B2 N-3-isoxazolyl-4-methyl-3-(1-((1-methylethyl)oxy)-6-phthalazinyl)benzamide; p38 kinase inhibitor; antiinflammatory, analgesic agent; rheumatoid arthritis, osteoporosis, leukemia, psoriasis, Crohn's disease, rhinitis, ulcerative colitis, dermatitis, asthma, Alzheimer's disease, type I and II diabetes AMGEN INC. (US) 2012-01-24 US disclosed
EP-2077998-B1 PHTHALAZINE, AZA- AND DIAZA-PHTHALAZINE COMPOUNDS AND METHODS OF USE AMGEN INC (US) 2011-03-09 EP disclosed
US-7759337-B2 Phthalazine compounds and methods of use AMGEN INC. (US) 2010-07-20 US disclosed
US-20080119468-A1 Phthalazine, aza-and diaza-phthalazine compounds and methods of use AMGEN INC. (US) 2008-05-22 US disclosed
US-20060199817-A1 Phthalazine, aza- and diaza-phthalazine compounds and methods of use AMGEN INC. (US) 2006-09-07 US 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-20060199817-A1 Phthalazine, aza- and diaza-phthalazine compounds and methods of use DAPK2, CDK2, DAPK1 BCL2 993/4885MCL1 1410/4885S100A4 1141/4885
US-20080119468-A1 Phthalazine, aza-and diaza-phthalazine compounds and methods of use DAPK2, CDK2, DAPK1 BCL2 993/4885MCL1 1410/4885S100A4 1141/4885
US-20240327375-A1 SUBSTITUTED HETEROBICYCLIC DERIVATIVES AS NEGATIVE ALLOSTERIC MODULATORS OF MGLU7 RECEPTOR GRM7, GRM2, GRM1 BCL2 4662/4885MCL1 4169/4885S100A4 3424/4885

“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.