SCHEMBL17570548

SCHEMBL17570548

N#Cc1c(-n2c3cccnc3c3ncccc32)c(C#N)c(-n2c3cccnc3c3ncccc32)c(C#N)c1-n1c2cccnc2c2ncccc21

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KCNMA1 Q12791 10/20 0.44
ELANE P08246 2/20 0.38
PDE9A O76083 3/20 0.38
CYP11B2 P19099 1/20 0.35
USP14 P54578 1/20 0.34
KDM4E B2RXH2 1/20 0.34
GMNN O75496 1/20 0.34
LMNA P02545 1/20 0.34
TP53 P04637 1/20 0.34
HSP90AA1 P07900 1/20 0.34
MMP2 P08253 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
MAPT P10636 1/20 0.34
MMP9 P14780 1/20 0.34
ALOX15 P16050 1/20 0.34
TSHR P16473 1/20 0.34
NFKB1 P19838 1/20 0.34
MMP8 P22894 1/20 0.34
CCR1 P32246 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
SCHEMBL23983293 0.95 KCNMA1 (0.42) KCNMA1ELANEPDE9ACYP11B2USP14
SCHEMBL17570601 0.89 CYP11B2 (0.40) KCNMA1ELANEPDE9ACYP11B2KDM4E
SCHEMBL22461722 0.84 CYP11B2 (0.39) KCNMA1ELANEPDE9ACYP11B2KDM4E
SCHEMBL22461778 0.82 KCNMA1 (0.38) KCNMA1PDE9ACYP11B2KDM4ESMN1; SMN2
SCHEMBL23983368 0.82 KCNMA1 (0.38) KCNMA1PDE9ACYP11B2KDM4ESMN1; SMN2
SCHEMBL23984104 0.82 KCNMA1 (0.38) KCNMA1PDE9ACYP11B2KDM4ESMN1; SMN2
SCHEMBL17570641 0.81 ELANE (0.40) KCNMA1ELANEPDE9ACYP11B2USP14
SCHEMBL22461654 0.80 CYP11B2 (0.39) KCNMA1ELANEPDE9ACYP11B2KDM4E
SCHEMBL21911771 0.80 RECQL (0.38) KCNMA1ELANEPDE9ACYP11B2KDM4E
SCHEMBL21378003 0.77 KDM4E (0.36) KCNMA1PDE9ACYP11B2USP14KDM4E

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 KCNMA1 1041/4885ELANE 232/4885PDE9A 3297/4885
US-10193079-B2 Materials for electronic devices AOC3, AOC2, AOC1 KCNMA1 1041/4885ELANE 232/4885PDE9A 3297/4885

“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.