SCHEMBL20031647

SCHEMBL20031647

N#Cc1c(C#N)c2c(c3c1CCc1cc(N(c4ccccc4)c4ccccc4)ccc1-3)-c1ccc(N(c3ccccc3)c3ccccc3)cc1CC2

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSD11B1 P28845 1/20 0.35
HSD11B2 P80365 1/20 0.35
NOTUM Q6P988 3/20 0.33
EGFR P00533 3/20 0.32
L3MBTL1 Q9Y468 4/20 0.32
ALDH1A1 P00352 4/20 0.32
MAPT P10636 3/20 0.32
KDM4E B2RXH2 3/20 0.32
CYP1A2 P05177 1/20 0.32
CYP3A4 P08684 1/20 0.32
CYP2D6 P10635 1/20 0.32
CYP2C9 P11712 1/20 0.32
CYP2C19 P33261 1/20 0.32
TDP1 Q9NUW8 1/20 0.32
MAPK1 P28482 3/20 0.31
LMNA P02545 4/20 0.31
HPGD P15428 3/20 0.31
MEN1 O00255 2/20 0.31
KMT2A Q03164 2/20 0.31
ATM Q13315 2/20 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
SCHEMBL22703001 0.91 ALDH1A1 (0.34) HSD11B1HSD11B2NOTUMEGFRL3MBTL1
SCHEMBL13266329 0.80 MAOB (0.40) L3MBTL1ALDH1A1MAPTKDM4ECYP1A2
SCHEMBL25017594 0.78 PARP10 (0.43) HSD11B1HSD11B2EGFRL3MBTL1ALDH1A1
SCHEMBL20031643 0.75 MAPK1 (0.42) HSD11B1HSD11B2EGFRL3MBTL1ALDH1A1
SCHEMBL20031659 0.73 MIF (0.44) NOTUMEGFRALDH1A1KDM4ECYP1A2
SCHEMBL14078107 0.72 MAPT (0.42) L3MBTL1ALDH1A1MAPTKDM4ECYP1A2
SCHEMBL13241965 0.71 ALDH1A1 (0.38) L3MBTL1ALDH1A1MAPTKDM4ECYP1A2
SCHEMBL16114425 0.70 KDM4E (0.33) L3MBTL1ALDH1A1MAPTKDM4ECYP1A2
SCHEMBL22703046 0.70 EGFR (0.44) NOTUMEGFRALDH1A1MAPTKDM4E
SCHEMBL20031646 0.70 EGFR (0.58) EGFRALDH1A1MAPTKDM4ECYP1A2

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 HSD11B1 227/4885HSD11B2 433/4885NOTUM 25/4885

“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.