SCHEMBL22563373

SCHEMBL22563373

Cc1cc(C)nc(-c2c(-n3c4cc(C(F)(F)F)ccc4c4ccc(C(F)(F)F)cc43)cc(C#N)cc2-n2c3cc(C(F)(F)F)ccc3c3ccc(C(F)(F)F)cc32)n1

nearest known ligand 0.40

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
GRM5 P41594 9/20 0.40
KIF11 P52732 2/20 0.36
MAT2A P31153 5/20 0.35
S1PR1 P21453 1/20 0.35
DGAT1 O75907 1/20 0.35
SOAT1 P35610 1/20 0.35
KCNH2 Q12809 1/20 0.35
PDE10A Q9Y233 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
SCHEMBL22563429 0.95 KIF11 (0.43) GRM5KIF11MAT2AS1PR1
SCHEMBL21108014 0.91 GRM5 (0.38) GRM5KIF11MAT2AS1PR1DGAT1
SCHEMBL23487712 0.89 KIF11 (0.36) GRM5KIF11
SCHEMBL19913276 0.88 GRM5 (0.38) GRM5KIF11MAT2AS1PR1DGAT1
SCHEMBL23487688 0.88 RXRA (0.37) GRM5KIF11DGAT1SOAT1KCNH2
SCHEMBL22563579 0.88 ALOX5AP (0.35) GRM5KIF11MAT2ADGAT1SOAT1
SCHEMBL22268416 0.86 GRM5 (0.39) GRM5KIF11MAT2AS1PR1DGAT1
SCHEMBL21108008 0.86 KIF11 (0.43) GRM5KIF11MAT2AS1PR1PDE10A
SCHEMBL22563506 0.85 USP14 (0.38) GRM5
SCHEMBL23487711 0.84 PTGER4 (0.34) GRM5KIF11

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-20210175434-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2021-06-10 US disclosed
EP-3580300-B1 ORGANIC MOLECULES, ESPECIALLY FOR USE IN ORGANIC OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2020-10-21 EP 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-20210175434-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, OR51E2, OCIAD2 GRM5 3519/4885KIF11 3067/4885MAT2A 1269/4885

“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.