SCHEMBL20617282

SCHEMBL20617282

N#Cc1cc(-n2c3ccc(C#N)cc3c3cc(C#N)ccc32)c(-c2cccc(C(F)(F)F)c2)c(-n2c3ccc(C#N)cc3c3cc(C#N)ccc32)c1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
CTSS P25774 2/20 0.41
GRIN1 Q05586 3/20 0.41
GRIN2B Q13224 3/20 0.41
MAT2A P31153 1/20 0.41
KDM4E B2RXH2 2/20 0.39
KIF11 P52732 1/20 0.38
TDO2 P48775 1/20 0.38
ELANE P08246 5/20 0.37
MAPT P10636 1/20 0.36
CNR2 P34972 1/20 0.36
ADORA1 P30542 1/20 0.36
CTSK P43235 1/20 0.36
GRM5 P41594 1/20 0.35
ALDH1A1 P00352 1/20 0.35
GAA P10253 1/20 0.35
CYP2C9 P11712 1/20 0.35
CYP3A4 P08684 1/20 0.35
RXRA P19793 1/20 0.35
RXRG P48443 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
SCHEMBL21546686 0.90 MAT2A (0.45) CTSSGRIN1GRIN2BMAT2AKDM4E
SCHEMBL22564386 0.90 RXRA (0.41) GRIN1GRIN2BMAT2AKIF11TDO2
SCHEMBL19903688 0.90 KIF11 (0.40) GRIN1GRIN2BMAT2AKIF11CNR2
SCHEMBL20617275 0.90 GRIN1 (0.38) CTSSGRIN1GRIN2BMAT2AKDM4E
SCHEMBL20616828 0.89 RXRA (0.40) CTSSGRIN1GRIN2BMAT2AKDM4E
SCHEMBL21546922 0.89 MAT2A (0.43) GRIN1GRIN2BMAT2AKIF11CNR2
SCHEMBL20617000 0.88 PTPN5 (0.41) CTSSGRIN1GRIN2BMAT2AKDM4E
SCHEMBL20617253 0.87 PTPN5 (0.42) CTSSGRIN1GRIN2BMAT2AKIF11
SCHEMBL22564459 0.87 RXRA (0.38) GRIN1GRIN2BMAT2AKIF11CNR2
SCHEMBL19903540 0.87 RXRA (0.36) GRIN1GRIN2BMAT2AKIF11CNR2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20190006600-A1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2019-01-03 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 (1 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-20190006600-A1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES OR10J3, ORC3, ORAI3 CTSS 4000/4885GRIN1 3509/4885GRIN2B 2428/4885

“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.