SCHEMBL23781876

SCHEMBL23781876

COC(=O)c1ccc(Oc2ccc(F)cc2F)nc1N

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP4K4 O95819 1/20 0.51
▸ MAPK14 Q16539 2/20 0.42
▸ HSPB1 P04792 1/20 0.41
▸ MET P08581 2/20 0.41
▸ NPC1 O15118 1/20 0.41
▸ CASP3 P42574 1/20 0.41
▸ RAB9A P51151 1/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ SENP8 Q96LD8 1/20 0.41
▸ SENP7 Q9BQF6 1/20 0.41
▸ SENP6 Q9GZR1 1/20 0.41
▸ CARM1 Q86X55 2/20 0.41
▸ PRMT6 Q96LA8 1/20 0.41
▸ KDM4E B2RXH2 1/20 0.41
▸ BRD4 O60885 1/20 0.40
▸ MAPT P10636 1/20 0.39
▸ TRPA1 O75762 2/20 0.39
▸ ALPL P05186 1/20 0.39
▸ MEN1 O00255 1/20 0.39
▸ KMT2A Q03164 1/20 0.39

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
SCHEMBL23781889 0.87 MAP4K4 (0.49) MAP4K4NPC1CASP3RAB9ASMN1; SMN2
SCHEMBL23781892 0.87 MAP4K4 (0.53) MAP4K4MAPK14HSPB1METKDM4E
SCHEMBL5258681 0.80 HSPB1 (0.45) MAP4K4HSPB1METCARM1PRMT6
SCHEMBL21811205 0.78 ALPL (0.54) MAPK14NPC1CASP3RAB9ASMN1; SMN2
SCHEMBL23797063 0.76 NNMT (0.53) NPC1RAB9ASMN1; SMN2KDM4EMAPT
SCHEMBL1797972 0.75 HSPB1 (0.54) MAPK14HSPB1NPC1RAB9ASMN1; SMN2
SCHEMBL11860422 0.75 SLC6A3 (0.55) NPC1RAB9ASMN1; SMN2KDM4EMAPT
SCHEMBL31371422 0.74 BRD4 (0.43) CARM1KDM4EBRD4MAPTTRPA1
SCHEMBL523258 0.74 CES2 (0.61) NPC1CASP3RAB9ASMN1; SMN2SENP8
SCHEMBL14012584 0.74 CES2 (0.61) NPC1CASP3RAB9ASMN1; SMN2SENP8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230355626-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2023-11-09 — — US disclosed
EP-4114834-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2023-01-11 — — EP disclosed
CN-115551858-A Inhibitors of human immunodeficiency virus replication VIIV保健英国第五有限公司 2022-12-30 — — CN disclosed
WO-2021176366-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2021-09-10 — — WO 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-20230355626-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION EIF2AK2, POLR2E, POLR2H MAP4K4 2808/4885MAPK14 1403/4885HSPB1 3110/4885

“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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