SCHEMBL22170372

SCHEMBL22170372

N#Cc1cc(C#N)c(-c2ccncc2)cc1F

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDE3B Q13370 3/20 0.45
PDE3A Q14432 3/20 0.45
BLM P54132 2/20 0.45
KDM4E B2RXH2 1/20 0.45
PDE5A O76074 1/20 0.45
LMNA P02545 1/20 0.45
HPGD P15428 1/20 0.45
TSHR P16473 1/20 0.45
PTGS1 P23219 1/20 0.45
PDE4A P27815 1/20 0.45
CYP2C19 P33261 1/20 0.45
PDE4B Q07343 1/20 0.45
PDE4C Q08493 1/20 0.45
PDE4D Q08499 1/20 0.45
CYP11B1 P15538 10/20 0.41
CYP11B2 P19099 10/20 0.41
PIK3CD O00329 1/20 0.41
PIK3CA P42336 1/20 0.41
PIK3CB P42338 1/20 0.41
GSK3A P49840 1/20 0.41

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
SCHEMBL19908919 0.91 PDE3B (0.46) PDE3BPDE3ABLMKDM4EPDE5A
SCHEMBL19909017 0.89 PDE3B (0.45) PDE3BPDE3ABLMKDM4EPDE5A
SCHEMBL16122723 0.87 TRPV4 (0.47) CYP11B1CYP11B2TRPV4
SCHEMBL16122535 0.81 CYP11B1 (0.49) KDM4EHPGDCYP2C19CYP11B1CYP11B2
SCHEMBL17545795 0.78 TRPV4 (0.54) CYP11B1CYP11B2TRPV4
SCHEMBL19933109 0.76 CYP11B2 (0.66) CYP11B1CYP11B2
SCHEMBL2924723 0.76 PIK3CD (0.50) BLMCYP11B1CYP11B2PIK3CDPIK3CA
SCHEMBL31492650 0.76 CYP11B2 (0.66) CYP11B1CYP11B2
SCHEMBL31663627 0.75 CYP2C19 (0.49) PDE3BPDE3ABLMKDM4EPDE5A
SCHEMBL21652626 0.74 LMNA (0.50) PDE3BPDE3AKDM4ELMNAHPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11588114-B2 Organic molecules for use in optoelectronic devices SAMSUNG DISPLAY CO., LTD. (KR) 2023-02-21 US disclosed
US-20200212316-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2020-07-02 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-20200212316-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, OPRM1, OR51E2 PDE3B 1366/4885PDE3A 1793/4885BLM 2013/4885
US-11588114-B2 Organic molecules for use in optoelectronic devices OR10J3, OPRM1, OR51E2 PDE3B 1366/4885PDE3A 1793/4885BLM 2013/4885

“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.