SCHEMBL25040301

SCHEMBL25040301

Cc1ccc(F)c2cc(C(=O)Nc3cccc(-c4ccccn4)c3)[nH]c12

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ SETD2 Q9BYW2 10/20 0.56
▸ MAPK14 Q16539 1/20 0.55
▸ NSD2 O96028 3/20 0.52
▸ CNR1 P21554 1/20 0.49
▸ RIPK2 O43353 1/20 0.43
▸ KAT6A Q92794 1/20 0.43
▸ CES1 P23141 1/20 0.43
▸ NPC1 O15118 1/20 0.43
▸ MAPT P10636 1/20 0.43
▸ THRB P10828 1/20 0.43
▸ MAPK1 P28482 1/20 0.43
▸ RAB9A P51151 1/20 0.43

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
SCHEMBL25040762 0.89 SETD2 (0.59) SETD2MAPK14NSD2RIPK2NPC1
SCHEMBL26100248 0.85 SETD2 (0.58) SETD2MAPK14NSD2RIPK2NPC1
SCHEMBL26098486 0.85 SETD2 (0.55) SETD2MAPK14NSD2NPC1MAPT
SCHEMBL25040178 0.85 SETD2 (0.59) SETD2NSD2CNR1NPC1MAPT
SCHEMBL25037794 0.84 SETD2 (0.55) SETD2NSD2CNR1NPC1MAPT
SCHEMBL25039829 0.83 SETD2 (0.63) SETD2MAPK14NSD2NPC1MAPT
SCHEMBL25039719 0.83 SETD2 (0.57) SETD2NSD2CNR1
SCHEMBL25040262 0.82 SETD2 (0.56) SETD2NSD2NPC1MAPTTHRB
SCHEMBL25040666 0.82 SETD2 (0.58) SETD2NSD2NPC1MAPTTHRB
SCHEMBL26099626 0.82 SETD2 (0.56) SETD2NSD2NPC1MAPTTHRB

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-20240299352-A1 COMBINATION THERAPIES WITH SETD2 INHIBITORS Epizyme, Inc. 2024-09-12 — — US disclosed
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 (3 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-20240299352-A1 COMBINATION THERAPIES WITH SETD2 INHIBITORS SETD2, CARM1, SETDB1 SETD2 1/4885MAPK14 1160/4885NSD2 35/4885
US-20230049113-A1 METHODS OF TREATING WHSC1-OVEREXPRESSING CANCERS BY INHIBITING SETD2 NSD1, NSD3, EHMT1 SETD2 8/4885MAPK14 2521/4885NSD2 6/4885
US-20230133671-A1 SETD2 INHIBITORS AND RELATED METHODS AND USES, INCLUDING COMBINATION THERAPIES EZH2, HDAC2, SETD2 SETD2 3/4885MAPK14 1421/4885NSD2 14/4885

“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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