SCHEMBL23213586

SCHEMBL23213586

COC(=O)Cn1nc(C(F)F)c2ccccc21

nearest known ligand 0.62

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 4/20 0.62
▸ SMN1; SMN2 Q16637 2/20 0.62
▸ KMT2A Q03164 2/20 0.62
▸ ALDH1A1 P00352 2/20 0.62
▸ LMNA P02545 1/20 0.62
▸ HPGD P15428 1/20 0.62
▸ HTT P42858 1/20 0.62
▸ MAPT P10636 1/20 0.49
▸ TSHR P16473 1/20 0.48
▸ HSD17B10 Q99714 3/20 0.47
▸ GAA P10253 2/20 0.45
▸ POLB P06746 1/20 0.43
▸ HTR3A P46098 1/20 0.42
▸ CYP1A2 P05177 1/20 0.41
▸ CYP2C19 P33261 1/20 0.41
▸ EGFR P00533 1/20 0.41

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
SCHEMBL18576516 0.86 KDM4E (0.62) KDM4ESMN1; SMN2KMT2AALDH1A1LMNA
SCHEMBL29845235 0.83 HSD17B10 (0.60) KDM4ESMN1; SMN2KMT2AALDH1A1LMNA
SCHEMBL23213705 0.83 HSD17B10 (0.60) KDM4ESMN1; SMN2KMT2AALDH1A1LMNA
SCHEMBL30071406 0.82 LMNA (0.47) KDM4ESMN1; SMN2KMT2AALDH1A1LMNA
SCHEMBL15622512 0.79 KDM4E (0.67) KDM4ESMN1; SMN2KMT2AALDH1A1LMNA
SCHEMBL18562157 0.78 KDM4E (0.65) KDM4ESMN1; SMN2KMT2AALDH1A1LMNA
SCHEMBL15631853 0.77 KMT2A (1.00) KDM4ESMN1; SMN2KMT2AALDH1A1LMNA
SCHEMBL17322837 0.75 KDM4E (0.69) KDM4ESMN1; SMN2KMT2AALDH1A1LMNA
SCHEMBL15631877 0.75 KDM4E (0.81) KDM4ESMN1; SMN2KMT2AALDH1A1LMNA
SCHEMBL17322840 0.75 KDM4E (0.69) KDM4ESMN1; SMN2KMT2AALDH1A1LMNA

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
EP-4041729-B1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE UK NO 5 LTD (GB) 2023-09-27 — — EP disclosed
US-20220370451-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV HEALTHCARE UK (NO. 5) LIMITED (GB) 2022-11-24 — — US disclosed
EP-4041729-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2022-08-17 — — EP disclosed
WO-2021070054-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION VIIV Healthcare UK (No.5) Limited (GB) 2021-04-15 — — 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-20220370451-A1 INHIBITORS OF HUMAN IMMUNODEFICIENCY VIRUS REPLICATION EIF2AK2, SAMHD1, POLR2H KDM4E 2356/4885SMN1; SMN2 2727/4885KMT2A 3262/4885

“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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