SCHEMBL21740248

SCHEMBL21740248

Cc1ccc(F)c2c1NC(C(=O)N[C@@H]1CCC[C@@H](C3CCCNC3)C1)C2

nearest known ligand 0.33

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
SETD2 Q9BYW2 10/20 0.33
NSD2 O96028 1/20 0.32
CYP2C8 P10632 1/20 0.32
DRD2 P14416 1/20 0.32
HTR1B P28222 1/20 0.32
PARP1 P09874 1/20 0.31
CDK2 P24941 2/20 0.31
CCNA2 P20248 1/20 0.31
CDK1 P06493 1/20 0.30
CCNB1 P14635 1/20 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
SCHEMBL25038229 1.00 SETD2 (0.33) SETD2NSD2CYP2C8DRD2HTR1B
SCHEMBL22051520 1.00 SETD2 (0.33) SETD2NSD2CYP2C8DRD2HTR1B
SCHEMBL21739702 0.91 SETD2 (0.33) SETD2NSD2CYP2C8DRD2HTR1B
SCHEMBL22052099 0.91 SETD2 (0.33) SETD2NSD2CYP2C8DRD2HTR1B
SCHEMBL21739579 0.90 SETD2 (0.34) SETD2NSD2CYP2C8DRD2HTR1B
SCHEMBL21740283 0.90 SETD2 (0.34) SETD2NSD2CYP2C8DRD2HTR1B
SCHEMBL21739571 0.90 SETD2 (0.34) SETD2NSD2CYP2C8DRD2HTR1B
SCHEMBL21740250 0.88 SETD2 (0.36) SETD2NSD2CYP2C8DRD2HTR1B
SCHEMBL21739578 0.87 BRD4 (0.32) SETD2
SCHEMBL22052822 0.84 SETD2 (0.32) SETD2NSD2CYP2C8DRD2HTR1B

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-20230049113-A1 METHODS OF TREATING WHSC1-OVEREXPRESSING CANCERS BY INHIBITING SETD2 Epizyme, Inc. 2023-02-16 US disclosed
WO-2020037079-A1 SUBSTITUTED INDOLES AND METHODS OF USE THEREOF Epizyme, Inc. (US) 2020-02-20 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-20230049113-A1 METHODS OF TREATING WHSC1-OVEREXPRESSING CANCERS BY INHIBITING SETD2 NSD1, NSD3, EHMT1 SETD2 8/4885NSD2 6/4885CYP2C8 4870/4885

“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.