SCHEMBL22167071

SCHEMBL22167071

Cc1c(F)cc(-c2ccnc(Cl)c2C=O)cc1F

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
▸ ERN1 O75460 2/20 0.33
▸ RPS6KA3 P51812 2/20 0.32
▸ PIK3C3 Q8NEB9 6/20 0.32
▸ BTK Q06187 2/20 0.32
▸ PTGS2 P35354 1/20 0.31
▸ KMO O15229 2/20 0.31
▸ GPBAR1 Q8TDU6 1/20 0.31
▸ DHODH Q02127 1/20 0.31
▸ VRK1 Q99986 1/20 0.30
▸ NFE2L2 Q16236 2/20 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
SCHEMBL22167063 0.83 PTGS2 (0.35) RPS6KA3PTGS2GPBAR1NFE2L2
SCHEMBL22167066 0.82 RPS6KA3 (0.31) RPS6KA3
SCHEMBL25848930 0.81 MTOR (0.34) ERN1KMO
SCHEMBL24037150 0.78 HDAC1 (0.40) KMOGPBAR1DHODH
SCHEMBL21870524 0.76 NFE2L2 (0.42) PTGS2KMONFE2L2
SCHEMBL31058914 0.74 TGFBR1 (0.36) PTGS2KMOGPBAR1NFE2L2
SCHEMBL22167086 0.74 TGFBR1 (0.36) PTGS2KMOGPBAR1NFE2L2
SCHEMBL8550487 0.74 MEN1 (0.39) RPS6KA3PTGS2
SCHEMBL25669642 0.74 TDP1 (0.40) PTGS2KMONFE2L2
SCHEMBL23557303 0.74 ABL1 (0.43) ERN1DHODH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11800788-B2 Organometallic compound and organic light-emitting device including i he same SAMSUNG ELECTRONICS CO., LTD. (KR) 2023-10-24 — — US disclosed
US-11800788-B2 Organometallic compound and organic light-emitting device including i he same SAMSUNG ELECTRONICS CO., LTD. (KR) 2023-10-24 — — US disclosed
US-20200212319-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME SAMSUNG ELECTRONICS CO., LTD. (KR) 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-11800788-B2 Organometallic compound and organic light-emitting device including i he same UBE2L3, CRY1, OR10J3 ERN1 1906/4885RPS6KA3 1575/4885PIK3C3 2820/4885
US-20200212319-A1 ORGANOMETALLIC COMPOUND AND ORGANIC LIGHT-EMITTING DEVICE INCLUDING THE SAME OR10J3, UBE2L3, NR2E3 ERN1 2146/4885RPS6KA3 1208/4885PIK3C3 3210/4885

“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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