SCHEMBL21116201

SCHEMBL21116201

Cc1ccc2c(c1)c1ccccc1n2-c1ccc(-c2ccc(-n3c4ccccc4c4cc(C)ccc43)cc2C#N)c(C#N)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GRM2 Q14416 1/20 0.41
ALDH1A1 P00352 6/20 0.39
HPGD P15428 6/20 0.39
LMNA P02545 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MAPK1 P28482 1/20 0.39
IMPDH2 P12268 1/20 0.38
KDM4E B2RXH2 6/20 0.38
L3MBTL1 Q9Y468 3/20 0.38
ATM Q13315 1/20 0.38
GAA P10253 4/20 0.37
CASP1 P29466 2/20 0.37
HSD17B10 Q99714 2/20 0.37
GLA P06280 2/20 0.37
RECQL P46063 1/20 0.37
CASP7 P55210 1/20 0.37
MAPT P10636 1/20 0.36
S1PR4 O95977 1/20 0.36
S1PR1 P21453 1/20 0.36
HTT P42858 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
SCHEMBL19954120 0.93 ALDH1A1 (0.37) GRM2ALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL21116192 0.92 GRM2 (0.41) GRM2ALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL21116160 0.90 KDM4E (0.43) ALDH1A1HPGDLMNASMN1; SMN2MAPK1
SCHEMBL21116195 0.89 GRM2 (0.36) GRM2ALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL21131578 0.89 ALDH1A1 (0.39) GRM2ALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL19062206 0.89 KDM4E (0.47) ALDH1A1HPGDLMNASMN1; SMN2MAPK1
SCHEMBL21116174 0.88 AR (0.41) GRM2ALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL17955129 0.87 GRM2 (0.38) GRM2ALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL19755355 0.87 GRM2 (0.35) GRM2ALDH1A1HPGDLMNASMN1; SMN2
SCHEMBL20156194 0.86 ALDH1A1 (0.42) GRM2ALDH1A1HPGDLMNASMN1; SMN2

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-11271174-B2 Organic molecules for use in organic optoelectronic devices CYNORA GMBH (DE) 2022-03-08 US disclosed
US-20190198779-A1 ORGANIC MOLECULES FOR USE IN ORGANIC 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-20190198779-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, ORC3, NOX3 GRM2 3301/4885ALDH1A1 2170/4885HPGD 3190/4885
US-11271174-B2 Organic molecules for use in organic optoelectronic devices OR10J3, ORC3, NOX3 GRM2 2475/4885ALDH1A1 2201/4885HPGD 2857/4885

“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.