SCHEMBL22563398

SCHEMBL22563398

Cc1cc(C)nc(-c2cc(-n3c4ccccc4c4ccc(C(F)(F)F)cc43)c(-n3c4ccccc4c4ccc(C(F)(F)F)cc43)cc2C#N)n1

nearest known ligand 0.43

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.43
MAT2A P31153 4/20 0.37
TSHR P16473 1/20 0.35
SMN1; SMN2 Q16637 1/20 0.35
ABCG2 Q9UNQ0 1/20 0.35
CNR2 P34972 1/20 0.34
GRM5 P41594 3/20 0.33
MEN1 O00255 1/20 0.33
KMT2A Q03164 1/20 0.33
PSEN1 P49768 1/20 0.33
PSEN2 P49810 1/20 0.33
APH1B Q8WW43 1/20 0.33
NCSTN Q92542 1/20 0.33
APH1A Q96BI3 1/20 0.33
PSENEN Q9NZ42 1/20 0.33
ELANE P08246 2/20 0.32
XDH P47989 2/20 0.32
PDE2A O00408 1/20 0.32
PDE10A Q9Y233 1/20 0.32

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
SCHEMBL22563399 0.95 TSHR (0.38) KIF11MAT2ATSHRSMN1; SMN2ABCG2
SCHEMBL22563707 0.94 KIF11 (0.43) KIF11MAT2ATSHRSMN1; SMN2ABCG2
SCHEMBL21108807 0.92 KIF11 (0.43) KIF11MAT2ATSHRSMN1; SMN2CNR2
SCHEMBL22563600 0.91 SLC22A12 (0.32) KIF11MAT2AABCG2
SCHEMBL19909076 0.90 KIF11 (0.43) KIF11MAT2ATSHRSMN1; SMN2ABCG2
SCHEMBL23487296 0.89 ABCG2 (0.34) KIF11SMN1; SMN2ABCG2CNR2MEN1
SCHEMBL22563711 0.89 KIF11 (0.39) KIF11MAT2ATSHRSMN1; SMN2ABCG2
SCHEMBL21278866 0.87 KIF11 (0.41) KIF11MAT2ATSHRSMN1; SMN2CNR2
SCHEMBL21108809 0.86 TSHR (0.38) KIF11MAT2ATSHRSMN1; SMN2GRM5
SCHEMBL22563563 0.86 GRM2 (0.37) MAT2ASMN1; SMN2ABCG2MEN1KMT2A

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 KIF11 3067/4885MAT2A 1269/4885TSHR 4206/4885

“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.