SCHEMBL17570601

SCHEMBL17570601

N#Cc1c(-n2c3ccccc3c3ncccc32)c(C#N)c(-n2c3ccccc3c3ncccc32)c(C#N)c1-n1c2ccccc2c2ncccc21

nearest known ligand 0.41

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CYP11B2 P19099 1/20 0.40
KCNMA1 Q12791 7/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
RECQL P46063 1/20 0.39
EGFR P00533 1/20 0.36
SRC P12931 1/20 0.36
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 1/20 0.36
L3MBTL1 Q9Y468 2/20 0.36
MPI P34949 1/20 0.36
NPC1 O15118 1/20 0.35
LMNA P02545 1/20 0.35
GAA P10253 1/20 0.35
HTT P42858 1/20 0.35
RAB9A P51151 1/20 0.35
BRD4 O60885 2/20 0.35
ELANE P08246 1/20 0.35
PDE9A O76083 1/20 0.34

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
SCHEMBL22461722 0.95 CYP11B2 (0.39) CYP11B2KCNMA1SMN1; SMN2RECQLEGFR
SCHEMBL23984104 0.94 KCNMA1 (0.38) CYP11B2KCNMA1SMN1; SMN2RECQLEGFR
SCHEMBL22461778 0.94 KCNMA1 (0.38) CYP11B2KCNMA1SMN1; SMN2RECQLEGFR
SCHEMBL23983368 0.94 KCNMA1 (0.38) CYP11B2KCNMA1SMN1; SMN2RECQLEGFR
SCHEMBL22461654 0.92 CYP11B2 (0.39) CYP11B2KCNMA1SMN1; SMN2RECQLEGFR
SCHEMBL21911771 0.91 RECQL (0.38) CYP11B2KCNMA1SMN1; SMN2RECQLEGFR
SCHEMBL17570548 0.89 KCNMA1 (0.44) CYP11B2KCNMA1SMN1; SMN2KDM4ELMNA
SCHEMBL24327957 0.87 CYP11B2 (0.39) CYP11B2KCNMA1SMN1; SMN2RECQLKDM4E
SCHEMBL24327954 0.87 CYP11B2 (0.39) CYP11B2KCNMA1SMN1; SMN2RECQLKDM4E
SCHEMBL21912144 0.86 L3MBTL1 (0.39) CYP11B2KCNMA1SMN1; SMN2RECQLEGFR

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3375785-B1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2020-08-05 EP disclosed
US-10193079-B2 Materials for electronic devices MERCK PATENT GMBH (DE) 2019-01-29 US disclosed
EP-2976329-B1 MATERIALS FOR ELECTRONIC DEVICES MERCK PATENT GMBH (DE) 2018-06-27 EP disclosed
US-20160072076-A1 MATERIALS FOR ELECTRONIC DEVICES UDC IRELAND LIMITED (IE) 2016-03-10 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-20160072076-A1 MATERIALS FOR ELECTRONIC DEVICES AOC3, AOC2, AOC1 CYP11B2 395/4885KCNMA1 1041/4885SMN1; SMN2 3289/4885
US-10193079-B2 Materials for electronic devices AOC3, AOC2, AOC1 CYP11B2 395/4885KCNMA1 1041/4885SMN1; SMN2 3289/4885

“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.