SCHEMBL11089458

SCHEMBL11089458

Clc1cc(Br)cc2c1OCO2

nearest known ligand 0.36

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
NMT1 P30419 1/20 0.36
AHR P35869 4/20 0.34
NPC1 O15118 3/20 0.34
RAB9A P51151 3/20 0.34
PSMD14 O00487 1/20 0.34
MMP2 P08253 1/20 0.34
MEN1 O00255 1/20 0.32
KMT2A Q03164 1/20 0.32
AOC3 Q16853 1/20 0.32
MAOB P27338 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.31
ALDH1A1 P00352 1/20 0.31
CYP3A4 P08684 1/20 0.31
AKR1B1 P15121 1/20 0.31
SIRT2 Q8IXJ6 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
SCHEMBL16595637 0.83 LMNA (0.42) NMT1AHRMEN1KMT2A
SCHEMBL10054020 0.79 ALDH1A1 (0.37) NPC1RAB9AMEN1KMT2AALDH1A1
SCHEMBL11081166 0.78 AHR (0.47) AHRNPC1RAB9AMEN1KMT2A
SCHEMBL19667764 0.77 AHR (0.35) AHRMEN1KMT2AAOC3MAOB
SCHEMBL31303050 0.77 AHR (0.35) AHRMEN1KMT2AAOC3MAOB
SCHEMBL14337773 0.75 AHR (0.39) AHRMEN1KMT2AAOC3MAOB
SCHEMBL1171844 0.75 MAPT (0.35) AHRMEN1KMT2AAOC3MAOB
SCHEMBL21370005 0.75 CYP3A4 (0.41) NPC1RAB9AMEN1KMT2AABCG2
SCHEMBL11085951 0.75 MAOB (0.35) AHRNPC1RAB9AMEN1KMT2A
SCHEMBL31009431 0.75 MAPT (0.35) AHRMEN1KMT2AAOC3MAOB

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 38 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-4427666-A 3,5-Dihalogeno-1,2-methylenedioxybenzene arthropodicide synergizing agents BAYER AKTIENGESELLSCHAFT (DE) 1984-01-24 US claimed
US-10632125-B2 MTH1 inhibitors for treatment of inflammatory and autoimmune conditions THOMAS HELLEDAYS STIFTELSE FOR MEDICINSK FORSKNING (SE) 2020-04-28 US disclosed
EP-3049389-B1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION INC (US) 2019-08-07 EP disclosed
EP-3049389-B1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION INC (US) 2019-08-07 EP disclosed
US-20190047977-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF EVOTEC (UK) LTD. (GB) 2019-02-14 US disclosed
US-10174029-B2 Pyrimidine-2,4-diamine derivatives for treatment of cancer THOMAS HELLEDAYS STIFTELSE FOR MEDICINSK FORSKNING (SE) 2019-01-08 US disclosed
US-20190000856-A1 MTH1 INHIBITORS FOR TREATMENT OF INFLAMMATORY AND AUTOIMMUNE CONDITIONS THOMAS HELLEDAYS STIFTELSE FOER MEDICINSK FORSKNING (SE) 2019-01-03 US disclosed
US-10064869-B2 MTH1 inhibitors for treatment of inflammatory and autoimmune conditions THOMAS HELLEDAYS STIFTELSE FOR MEDICINSK FORSKNING (SE) 2018-09-04 US disclosed
US-20180170929-A1 PYRIMIDINE-2,4-DIAMINE DERIVATIVES FOR TREATMENT OF CANCER THOMAS HELLEDAYS STIFTELSE FOR MEDICINSK FORSKNING (SE) 2018-06-21 US disclosed
US-20180170929-A1 PYRIMIDINE-2,4-DIAMINE DERIVATIVES FOR TREATMENT OF CANCER THOMAS HELLEDAYS STIFTELSE FOR MEDICINSK FORSKNING (SE) 2018-06-21 US disclosed
US-20160002175-A1 Pyrimidine-2,4-Diamine Derivatives for Treatment of Cancer THOMAS HELLEDAYS STIFTELSE FOR MEDICINSK FORSKNING (SE) 2016-01-07 US disclosed
US-20160002175-A1 Pyrimidine-2,4-Diamine Derivatives for Treatment of Cancer THOMAS HELLEDAYS STIFTELSE FOR MEDICINSK FORSKNING (SE) 2016-01-07 US disclosed
US-20160002175-A1 Pyrimidine-2,4-Diamine Derivatives for Treatment of Cancer THOMAS HELLEDAYS STIFTELSE FOR MEDICINSK FORSKNING (SE) 2016-01-07 US disclosed
WO-2015187089-A1 MTH1 INHIBITORS FOR TREATMENT OF INFLAMMATORY AND AUTOIMMUNE CONDITIONS THOMAS HELLEDAYS STIFTELSE FÖR MEDICINSK FORSKNING (SE) 2015-12-10 WO disclosed
WO-2015187089-A1 MTH1 INHIBITORS FOR TREATMENT OF INFLAMMATORY AND AUTOIMMUNE CONDITIONS THOMAS HELLEDAYS STIFTELSE FÖR MEDICINSK FORSKNING (SE) 2015-12-10 WO disclosed
CN-105143206-A Pyrimidine-2,4-diamine derivatives for treatment of cancer THOMAS HELLEDAYS STIFTELSE F R MEDICINSK FORSKNING 2015-12-09 CN disclosed
EP-2925744-A1 PYRIMIDINE-2,4-DIAMINE DERIVATIVES FOR TREATMENT OF CANCER Thomas Helledays Stiftelse För Medicinsk Forskning (SE) 2015-10-07 EP disclosed
WO-2015047978-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF CHDI FOUNDATION, INC. (US) 2015-04-02 WO disclosed
WO-2014084778-A1 PYRIMIDINE-2,4-DIAMINE DERIVATIVES FOR TREATMENT OF CANCER THOMAS HELLEDAYS STIFTELSE FÖR MEDICINSK FORSKNING (SE) 2014-06-05 WO disclosed
WO-2014084778-A1 PYRIMIDINE-2,4-DIAMINE DERIVATIVES FOR TREATMENT OF CANCER THOMAS HELLEDAYS STIFTELSE FÖR MEDICINSK FORSKNING (SE) 2014-06-05 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 (7 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-20180170929-A1 PYRIMIDINE-2,4-DIAMINE DERIVATIVES FOR TREATMENT OF CANCER DPYD, MTHFD1, TYMS NMT1 195/4885AHR 3514/4885NPC1 1232/4885
US-20160002175-A1 Pyrimidine-2,4-Diamine Derivatives for Treatment of Cancer DPYD, MTHFD1, TYMS NMT1 186/4885AHR 3561/4885NPC1 1625/4885
US-20190047977-A1 KYNURENINE-3-MONOOXYGENASE INHIBITORS, PHARMACEUTICAL COMPOSITIONS, AND METHODS OF USE THEREOF KMO, KYNU, AADAT NMT1 1151/4885AHR 57/4885NPC1 1634/4885
US-10174029-B2 Pyrimidine-2,4-diamine derivatives for treatment of cancer DPYD, MTHFD1, TYMS NMT1 195/4885AHR 3514/4885NPC1 1232/4885
US-20190000856-A1 MTH1 INHIBITORS FOR TREATMENT OF INFLAMMATORY AND AUTOIMMUNE CONDITIONS MTHFD1, MTHFD2, TPMT NMT1 92/4885AHR 2433/4885NPC1 903/4885
US-10632125-B2 MTH1 inhibitors for treatment of inflammatory and autoimmune conditions MTHFD1, MTHFD2, TPMT NMT1 92/4885AHR 2433/4885NPC1 903/4885
US-10064869-B2 MTH1 inhibitors for treatment of inflammatory and autoimmune conditions MTHFD1, MTHFD2, TPMT NMT1 92/4885AHR 2433/4885NPC1 903/4885

“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.