SCHEMBL4411210

SCHEMBL4411210

O=C1C(Br)c2ccccc2N1Br

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AADAT Q8N5Z0 2/20 0.36
TLR9 Q9NR96 1/20 0.32
ALDH1A1 P00352 8/20 0.32
KDM4E B2RXH2 5/20 0.32
GAA P10253 4/20 0.32
POLB P06746 1/20 0.32
HTT P42858 2/20 0.32
MGLL Q99685 1/20 0.31
LMNA P02545 3/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
NPSR1 Q6W5P4 1/20 0.31
ATM Q13315 1/20 0.31
MAPT P10636 2/20 0.31
HPGD P15428 2/20 0.31
CACNA1B Q00975 1/20 0.31
APBA1 Q02410 1/20 0.31
TP53 P04637 1/20 0.30
CYP3A4 P08684 1/20 0.30
PKM P14618 1/20 0.30

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
SCHEMBL29620057 0.78 AADAT (0.35) AADATTLR9ALDH1A1KDM4EGAA
SCHEMBL9903242 0.78 OPRM1 (0.44) AADATTLR9ALDH1A1KDM4EGAA
SCHEMBL30722969 0.78 AADAT (0.35) AADATTLR9ALDH1A1KDM4EGAA
SCHEMBL28878339 0.75 MEN1 (0.46) ALDH1A1KDM4EGAAPOLBMGLL
SCHEMBL7612610 0.70 CDC25A (0.56) ALDH1A1KDM4EGAAPOLBATM
SCHEMBL7808629 0.69 AADAT (0.37) AADATALDH1A1KDM4EGAAHTT
SCHEMBL19410674 0.69 HTR2A (0.45) ALDH1A1KDM4EMEN1KMT2AHSD17B10
SCHEMBL31124667 0.62 MEN1 (0.35) ALDH1A1KDM4EGAAMEN1KMT2A
SCHEMBL22631177 0.60 AADAT (0.58) AADATALDH1A1KDM4EGAAMEN1
SCHEMBL6902840 0.59 MEN1 (0.52) ALDH1A1KDM4EPOLBHTTLMNA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4885370-A Synthetic method for indol-2(3H)-ones PFIZER INC. (US) 1989-12-05 US claimed
US-8987474-B2 Inhibition of Shp2/PTPN11 protein tyrosine phosphatase by NSC-87877, NSC-117199 and their analogs UNIVERSITY OF SOUTH FLORIDA (US) 2015-03-24 US disclosed
WO-2009135000-A2 INHIBITION OF SHP2/PTPN11 PROTEIN TYROSINE PHOSPHATASE BY NSC-117199 AND ANALOGS H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2009-11-05 WO disclosed
US-20080176309-A1 8-hydroxy-7-(6-sulfonaphthalen-2-yl)diazenyl-quinoline-5-sulfonic acid (NSC-87877); Src homology-2 domains; Noonan syndrome, cancer UNIVERSITY OF SOUTH FLORIDA (US) 2008-07-24 US disclosed
WO-2007117699-A2 INHIBITION OF SHP2/PTPN11 PROTEIN TYROSINE PHOSPHATASE BY NSC-87877, NSC-117199 AND THEIR ANALOGS UNIVERSITY OF SOUTH FLORIDA (US) 2007-10-18 WO disclosed
EP-1751142-A1 PYRIMIDINES DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH Pfizer Products Incorporated (US) 2007-02-14 EP disclosed
US-7145008-B2 Selective inhibitors of certain receptor and non-receptor tyrosine kinases such as FAK (focal adhesion kinase); anticancer agents; N-Methyl-N-(3-{[2-(2-oxo-2,3-dihydro-1H-indol-4-ylamino)-5-trifluoromethyl-pyrimidin-4-ylamino]-methyl}-pyrazin-2-yl)-methanesulfonamide for example PFIZER INC (US) 2006-12-05 US disclosed
WO-2005111022-A1 PYRIMIDINES DERIVATIVES FOR THE TREATMENT OF ABNORMAL CELL GROWTH PFIZER PRODUCTS INC. (US) 2005-11-24 WO disclosed
US-20050256125-A1 Pyrimidine derivatives for the treatment of abnormal cell growth PFIZER INC. 2005-11-17 US disclosed
US-4885370-A Synthetic method for indol-2(3H)-ones PFIZER INC. (US) 1989-12-05 US disclosed
US-4761485-A Synthetic method for indol-2(3H)-ones PFIZER INC. (US) 1988-08-02 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 (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-20080176309-A1 8-hydroxy-7-(6-sulfonaphthalen-2-yl)diazenyl-quinoline-5-sulfonic acid (NSC-87877); Src homology-2 domains; Noonan syndrome, cancer PTPN7, PTPN1, PTPN2 AADAT 4747/4885TLR9 3081/4885ALDH1A1 3859/4885
US-20050256125-A1 Pyrimidine derivatives for the treatment of abnormal cell growth DPYD, TYMP, TYMS AADAT 1184/4885TLR9 4167/4885ALDH1A1 348/4885

“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.