SCHEMBL4537545

SCHEMBL4537545

N#CC1=C(N)Oc2ncnc(O)c2C1c1cc(F)c(F)c(F)c1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MYB P10242 1/20 0.45
ALDH1A1 P00352 6/20 0.41
KMT2A Q03164 6/20 0.40
MAPT P10636 5/20 0.40
HSD17B10 Q99714 4/20 0.40
MEN1 O00255 4/20 0.40
KDM4E B2RXH2 1/20 0.40
ALPG P10696 1/20 0.40
AKR1C3 P42330 3/20 0.39
AKR1C1 Q04828 3/20 0.39
CLK2 P49760 1/20 0.38
MAP4K2 Q12851 1/20 0.38
MARK2 Q7KZI7 1/20 0.38
MINK1 Q8N4C8 1/20 0.38
SLK Q9H2G2 1/20 0.38
STK17A Q9UEE5 1/20 0.38
USP7 Q93009 2/20 0.38
HTT P42858 1/20 0.37
TSHR P16473 1/20 0.37
NPSR1 Q6W5P4 1/20 0.37

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
SCHEMBL15364100 0.77 MYB (0.48) MYBALDH1A1KMT2AMAPTHSD17B10
SCHEMBL4540156 0.75 TUBB4A (0.53) MYBALDH1A1KMT2AMAPTHSD17B10
SCHEMBL5045119 0.71 MEN1 (0.56) MYBALDH1A1KMT2AMAPTHSD17B10
SCHEMBL4534995 0.65 IDO1 (0.30) MYB
SCHEMBL15363767 0.64 ALDH1A1 (0.67) MYBALDH1A1KMT2AMAPTHSD17B10
SCHEMBL5045714 0.62 MYB (1.00) MYBKMT2AMAPTMEN1KDM4E
SCHEMBL19124952 0.58 MAPT (0.56) ALDH1A1KMT2AMAPTHSD17B10MEN1
SCHEMBL30871789 0.57 ERBB2 (0.32)
SCHEMBL874203 0.54
SCHEMBL157603 0.53 CES2 (0.42) KMT2AMEN1TSHR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2638025-B1 CHROMENE DERIVATIVES AND THEIR ANALOGA AS WNT PATHWAY ANTAGONISTS DEUTSCHES KREBSFORSCHUNGSZENTRUM DKFZ (DE) 2020-02-05 EP disclosed
US-20180334442-A1 CHROMENE DERIVATIVES AND THEIR ANALOGS AS WNT PATHWAY ANTAGONISTS Ruprecht-Karls-Universität Heidelberg (DE) 2018-11-22 US disclosed
US-10065939-B2 Chromene derivatives and their analogs as Wnt pathway antagonists DEUTSCHES KREBSFORSCHUNGSZENTRUM (DE) 2018-09-04 US disclosed
EP-2638026-B1 CHROMENE DERIVATIVES AND THEIR ANALOGA AS WNT PATHWAY ANTAGONISTS DEUTSCHES KREBSFORSCHUNGSZENTRUM DKFZ (DE) 2018-07-11 EP disclosed
US-20160355496-A1 CHROMENE DERIVATIVES AND THEIR ANALOGS AS WNT PATHWAY ANTAGONISTS DEUTSCHES KREBSFORSCHUNGSZENTRUM (DE) 2016-12-08 US disclosed
US-9371333-B2 Chromene derivatives and their analoga as Wnt pathway antagonists DEUTSCHES KREBSFORSCHUNGSZENTRUM (DE) 2016-06-21 US disclosed
US-20130303550-A1 CHROMENE DERIVATIVES AND THEIR ANALOGA AS WNT PATHWAY ANTAGONISTS RUPRECHT-KARLS-UNIVERSITAT HEIDELBERG (DE) 2013-11-14 US disclosed
US-20130296344-A1 CHROMENE DERIVATIVES AND THEIR ANALOGA AS WNT PATHWAY ANTAGONISTS RUPRECHT-KARLS-UNIVERSITAT HEIDELBERG (DE) 2013-11-07 US disclosed
EP-2638025-A2 CHROMENE DERIVATIVES AND THEIR ANALOGA AS WNT PATHWAY ANTAGONISTS Deutsches Krebsforschungszentrum (DKFZ) (DE) 2013-09-18 EP disclosed
EP-2638026-A2 CHROMENE DERIVATIVES AND THEIR ANALOGA AS WNT PATHWAY ANTAGONISTS Deutsches Krebsforschungszentrum (DKFZ) (DE) 2013-09-18 EP disclosed
WO-2012062905-A2 CHROMENE DERIVATIVES AND THEIR ANALOGA AS WNT PATHWAY ANTAGONISTS DEUTSCHES KREBSFORSCHUNGSZENTRUM (DKFZ) (DE) 2012-05-18 WO disclosed
WO-2012062901-A2 CHROMENE DERIVATIVES AND THEIR ANALOGA AS WNT PATHWAY ANTAGONISTS DEUTSCHES KREBSFORSCHUNGSZENTRUM (DKFZ) (DE) 2012-05-18 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 (5 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-20130303550-A1 CHROMENE DERIVATIVES AND THEIR ANALOGA AS WNT PATHWAY ANTAGONISTS WNT3, WNT1, WNT3A MYB 142/4885ALDH1A1 3782/4885KMT2A 3184/4885
US-20160355496-A1 CHROMENE DERIVATIVES AND THEIR ANALOGS AS WNT PATHWAY ANTAGONISTS WNT3, WNT1, WNT3A MYB 152/4885ALDH1A1 4092/4885KMT2A 3925/4885
US-10065939-B2 Chromene derivatives and their analogs as Wnt pathway antagonists WNT3, WNT1, WNT3A MYB 152/4885ALDH1A1 4092/4885KMT2A 3925/4885
US-20130296344-A1 CHROMENE DERIVATIVES AND THEIR ANALOGA AS WNT PATHWAY ANTAGONISTS WNT3, WNT1, WNT3A MYB 172/4885ALDH1A1 3312/4885KMT2A 3019/4885
US-20180334442-A1 CHROMENE DERIVATIVES AND THEIR ANALOGS AS WNT PATHWAY ANTAGONISTS WNT3, WNT1, WNT3A MYB 152/4885ALDH1A1 4092/4885KMT2A 3925/4885

“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.