SCHEMBL25040448

SCHEMBL25040448

Cc1ccc(F)c2cc(C(=O)Nc3cccc(-c4n[nH]c(=O)[nH]4)c3)[nH]c12

nearest known ligand 0.58

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
▸ SETD2 Q9BYW2 13/20 0.58
▸ NSD2 O96028 4/20 0.52
▸ PLA2G7 Q13093 2/20 0.44
▸ MAPT P10636 3/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ RAB9A P51151 2/20 0.43
▸ THRB P10828 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ TP53 P04637 1/20 0.40

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
SCHEMBL25040215 0.84 SETD2 (0.56) SETD2NSD2PLA2G7MAPTNPC1
SCHEMBL26098260 0.83 SETD2 (0.55) SETD2NSD2PLA2G7MAPTNPC1
SCHEMBL26098486 0.83 SETD2 (0.55) SETD2NSD2PLA2G7MAPTNPC1
SCHEMBL25039829 0.83 SETD2 (0.63) SETD2NSD2PLA2G7MAPTNPC1
SCHEMBL25040762 0.82 SETD2 (0.59) SETD2NSD2PLA2G7MAPTNPC1
SCHEMBL25040178 0.82 SETD2 (0.59) SETD2NSD2PLA2G7MAPTNPC1
SCHEMBL26099626 0.82 SETD2 (0.56) SETD2NSD2PLA2G7MAPTNPC1
SCHEMBL25037735 0.82 SETD2 (0.58) SETD2NSD2PLA2G7MAPTNPC1
SCHEMBL25039719 0.81 SETD2 (0.57) SETD2NSD2
SCHEMBL25040301 0.80 SETD2 (0.56) SETD2NSD2MAPTNPC1RAB9A

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-20230133671-A1 SETD2 INHIBITORS AND RELATED METHODS AND USES, INCLUDING COMBINATION THERAPIES Epizyme, Inc. (US) 2023-05-04 — — US disclosed
US-20230049113-A1 METHODS OF TREATING WHSC1-OVEREXPRESSING CANCERS BY INHIBITING SETD2 Epizyme, Inc. 2023-02-16 — — 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-20230049113-A1 METHODS OF TREATING WHSC1-OVEREXPRESSING CANCERS BY INHIBITING SETD2 NSD1, NSD3, EHMT1 SETD2 8/4885NSD2 6/4885PLA2G7 2447/4885
US-20230133671-A1 SETD2 INHIBITORS AND RELATED METHODS AND USES, INCLUDING COMBINATION THERAPIES EZH2, HDAC2, SETD2 SETD2 3/4885NSD2 14/4885PLA2G7 3419/4885

“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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