SCHEMBL22170304

SCHEMBL22170304

Cc1cc(-c2cc(-n3c4ccccc4c4ccc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)cc43)c(-n3c4ccccc4c4ccc(-c5cc(C(F)(F)F)cc(C(F)(F)F)c5)cc43)cc2C#N)cc(C)n1

nearest known ligand 0.34

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
XDH P47989 2/20 0.34
METAP2 P50579 1/20 0.34
KIF11 P52732 1/20 0.33
AR P10275 3/20 0.33
CYP11B1 P15538 1/20 0.32
CYP11B2 P19099 1/20 0.32
ABCG2 Q9UNQ0 1/20 0.31
GRIN1 Q05586 1/20 0.31
GRIN2B Q13224 1/20 0.31
NR2E1 Q9Y466 1/20 0.31
PIK3R2 O00459 1/20 0.31
TACR1 P25103 1/20 0.31
KDM4E B2RXH2 1/20 0.31
GRM2 Q14416 1/20 0.30

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
SCHEMBL19919643 0.94 METAP2 (0.34) XDHMETAP2KIF11ARCYP11B1
SCHEMBL23487296 0.91 ABCG2 (0.34) XDHKIF11ARCYP11B1CYP11B2
SCHEMBL19917957 0.91 AR (0.36) XDHKIF11ARCYP11B1CYP11B2
SCHEMBL19909007 0.91 METAP2 (0.34) XDHMETAP2ARCYP11B1CYP11B2
SCHEMBL19919747 0.91 METAP2 (0.34) XDHMETAP2ARCYP11B1CYP11B2
SCHEMBL19918025 0.90 AR (0.41) XDHKIF11ARCYP11B1CYP11B2
SCHEMBL19919645 0.90 METAP2 (0.36) XDHMETAP2ARCYP11B1CYP11B2
SCHEMBL19909076 0.90 KIF11 (0.43) XDHKIF11ARABCG2KDM4E
SCHEMBL19913254 0.90 AR (0.34) XDHMETAP2KIF11ARCYP11B1
SCHEMBL22822682 0.89 RXRA (0.39) XDHMETAP2KIF11ARCYP11B1

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-11588114-B2 Organic molecules for use in optoelectronic devices SAMSUNG DISPLAY CO., LTD. (KR) 2023-02-21 US disclosed
US-20200212316-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2020-07-02 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-20200212316-A1 ORGANIC MOLECULES FOR USE IN OPTOELECTRONIC DEVICES OR10J3, OPRM1, OR51E2 XDH 483/4885METAP2 2365/4885KIF11 3067/4885
US-11588114-B2 Organic molecules for use in optoelectronic devices OR10J3, OPRM1, OR51E2 XDH 483/4885METAP2 2365/4885KIF11 3067/4885

“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.