SCHEMBL20031643

SCHEMBL20031643

N#Cc1c(C#N)c2c(c3c1CCc1cc(Oc4ccccc4)ccc1-3)-c1ccc(Oc3ccccc3)cc1CC2

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK1 P28482 1/20 0.42
EGFR P00533 5/20 0.41
MAOA P21397 2/20 0.38
MAOB P27338 2/20 0.38
CYP1A2 P05177 2/20 0.37
CYP2C19 P33261 2/20 0.37
ALDH1A1 P00352 2/20 0.37
MEN1 O00255 1/20 0.37
CYP2C9 P11712 1/20 0.37
KMT2A Q03164 1/20 0.37
L3MBTL1 Q9Y468 1/20 0.37
HRH3 Q9Y5N1 1/20 0.36
NAAA Q02083 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
PDE4A P27815 1/20 0.36
PDE4B Q07343 1/20 0.36
PDE4C Q08493 1/20 0.36
PDE4D Q08499 1/20 0.36
HPGD P15428 1/20 0.36
UCHL1 P09936 1/20 0.35

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
SCHEMBL22703046 0.84 EGFR (0.44) MAPK1EGFRMAOAMAOBCYP1A2
SCHEMBL20031646 0.81 EGFR (0.58) MAPK1EGFRCYP1A2ALDH1A1MEN1
SCHEMBL20031900 0.78 EGFR (0.53) MAPK1EGFRCYP1A2ALDH1A1MEN1
SCHEMBL25016883 0.78 EGFR (0.42) MAPK1EGFRMAOAMAOBSMN1; SMN2
SCHEMBL25017594 0.78 PARP10 (0.43) MAPK1EGFRALDH1A1MEN1KMT2A
SCHEMBL20031910 0.78 EGFR (0.44) MAPK1EGFRMAOAMAOBALDH1A1
SCHEMBL20031647 0.75 HSD11B1 (0.35) MAPK1EGFRCYP1A2CYP2C19ALDH1A1
SCHEMBL20031637 0.74 BRD4 (0.42) MAPK1MAOAMAOBCYP1A2CYP2C19
SCHEMBL20031875 0.74 EGFR (0.51) MAPK1EGFRCYP1A2ALDH1A1MEN1
SCHEMBL20031659 0.73 MIF (0.44) MAPK1EGFRMAOAMAOBCYP1A2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11578040-B2 [5]Helicene derivatives as molecular reporters for diagnostic applications and methods of synthesis therefor NATIONAL SCIENCE AND TECHNOLOGY DEVELOPMENT AGENCY (TH) 2023-02-14 US disclosed
EP-3518746-B1 [5]HELICENE DERIVATIVES AS MOLECULAR REPORTERS FOR DIAGNOSTIC APPLICATIONS AND METHODS OF SYNTHESIS THEREFOR NATIONAL SCIENCE AND TECH DEVELOPMENT AGENCY (TH) 2020-11-25 EP disclosed
WO-2018063105-A1 [5]HELICENE DERIVATIVES AS MOLECULAR REPORTERS FOR DIAGNOSTIC APPLICATIONS AND METHODS OF SYNTHESIS THEREFOR NATIONAL SCIENCE AND TECHNOLOGY DEVELOPMENT AGENCY (TH) 2018-04-05 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 (1 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-11578040-B2 [5]Helicene derivatives as molecular reporters for diagnostic applications and methods of synthesis therefor OR51E2, HDHD5, WEE1 MAPK1 3200/4885EGFR 381/4885MAOA 2352/4885

“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.