SCHEMBL22157691

SCHEMBL22157691

Cc1ccc2c3ccccc3n(-c3cc(C(F)(F)F)cc(-n4c5ccccc5c5ccc(C)cc54)c3-c3c(F)cccc3F)c2c1

nearest known ligand 0.41

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ KIF11 P52732 3/20 0.41
▸ MAT2A P31153 2/20 0.33
▸ GLA P06280 1/20 0.33
▸ TACR1 P25103 2/20 0.32
▸ MAPT P10636 2/20 0.32
▸ HSP90AA1 P07900 1/20 0.32
▸ F7 P08709 1/20 0.32
▸ F3 P13726 1/20 0.32
▸ GRM4 Q14833 1/20 0.31
▸ LMNA P02545 1/20 0.31
▸ HTT P42858 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ ATM Q13315 1/20 0.31
▸ CCR1 P32246 1/20 0.31
▸ PBRM1 Q86U86 1/20 0.30
▸ RXFP1 Q9HBX9 1/20 0.30
▸ NFE2L2 Q16236 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
SCHEMBL22158530 0.95 MAT2A (0.36) KIF11MAT2AGLAMAPTF7
SCHEMBL22157688 0.93 KIF11 (0.38) KIF11MAT2AGLATACR1MAPT
SCHEMBL23299850 0.89 KIF11 (0.42) KIF11MAT2ATACR1MAPTHSP90AA1
SCHEMBL22158535 0.87 KIF11 (0.36) KIF11MAT2AMAPTF7F3
SCHEMBL22158531 0.87 KIF11 (0.46) KIF11MAT2AGLAHSP90AA1F7
SCHEMBL22156763 0.86 KIF11 (0.39) KIF11MAT2AHSP90AA1F7F3
SCHEMBL22156756 0.86 KIF11 (0.39) KIF11MAT2AHSP90AA1F7F3
SCHEMBL22157675 0.84 KIF11 (0.40) KIF11TACR1MAPTHSP90AA1LMNA
SCHEMBL22158641 0.84 KIF11 (0.37) KIF11TACR1
SCHEMBL22158534 0.83 KIF11 (0.41) KIF11MAT2AHSP90AA1F7F3

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
EP-3635070-B1 ORGANIC MOLECULES, IN PARTICULAR FOR USE IN OPTOELECTRONIC DEVICES CYNORA GMBH (DE) 2021-04-28 — — EP disclosed
US-20200203628-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES SAMSUNG DISPLAY CO., LTD. (KR) 2020-06-25 — — 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-20200203628-A1 ORGANIC MOLECULES FOR USE IN ORGANIC OPTOELECTRONIC DEVICES OR10J3, ORC3, OR51E2 KIF11 4485/4885MAT2A 3952/4885GLA 4219/4885

“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.

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