SCHEMBL21116459

SCHEMBL21116459

Cc1ccc2c(c1)c1ccccc1n2-c1cc(-c2ccc(C#N)c(-n3c4ccc(C)cc4c4cc(C)ccc43)c2)ccc1C#N

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AR P10275 2/20 0.38
IMPDH2 P12268 1/20 0.38
PDE9A O76083 1/20 0.37
PDE1C Q14123 1/20 0.37
BCHE P06276 1/20 0.36
ACHE P22303 1/20 0.36
KDM4E B2RXH2 4/20 0.36
ALDH1A1 P00352 2/20 0.36
MAPT P10636 1/20 0.36
HPGD P15428 1/20 0.36
CASP1 P29466 1/20 0.36
HSD17B10 Q99714 1/20 0.36
MAOA P21397 4/20 0.36
MAOB P27338 3/20 0.36
L3MBTL1 Q9Y468 3/20 0.36
HTT P42858 2/20 0.35
LMNA P02545 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
TDP1 Q9NUW8 1/20 0.35
GLA P06280 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
SCHEMBL21116545 1.00 AR (0.38) ARIMPDH2PDE9APDE1CBCHE
SCHEMBL21116327 0.93 AR (0.42) ARBCHEACHEKDM4EALDH1A1
SCHEMBL21116543 0.92 AR (0.38) ARIMPDH2PDE9APDE1CKDM4E
SCHEMBL21116544 0.92 AR (0.38) ARIMPDH2PDE9APDE1CKDM4E
SCHEMBL24926840 0.92 PDE9A (0.39) ARIMPDH2PDE9APDE1CBCHE
SCHEMBL21116334 0.91 AR (0.47) ARIMPDH2KDM4EALDH1A1MAPT
SCHEMBL21116552 0.89 AR (0.38) ARIMPDH2PDE9APDE1CKDM4E
SCHEMBL22519649 0.89 IMPDH2 (0.41) IMPDH2PDE9APDE1CBCHEACHE
SCHEMBL25513040 0.89 IMPDH2 (0.41) IMPDH2PDE9APDE1CBCHEACHE
SCHEMBL19062273 0.89 KDM4E (0.42) ARIMPDH2KDM4EALDH1A1MAPT

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-11136294-B2 Organic molecules for use in optoelectronic devices CYNORA GMBH (DE) 2021-10-05 US disclosed
US-20190194130-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-06-27 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-20190194130-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, NOX3, ORC3 AR 1096/4885IMPDH2 4294/4885PDE9A 4620/4885
US-11136294-B2 Organic molecules for use in optoelectronic devices OR10J3, ORC3, NOX3 AR 1080/4885IMPDH2 4355/4885PDE9A 4637/4885

“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.