SCHEMBL21739537

SCHEMBL21739537

Cc1cccc2c1NC(C(=O)N1CCN3CNNC3C1)C2

nearest known ligand 0.36

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 2/20 0.31
TSHR P16473 2/20 0.31
MEN1 O00255 1/20 0.31
MAPT P10636 1/20 0.31
NPSR1 Q6W5P4 1/20 0.31
PKM P14618 1/20 0.31
DPP4 P27487 3/20 0.31
HRH3 Q9Y5N1 1/20 0.31
MGLL Q99685 1/20 0.31
ALDH1A1 P00352 1/20 0.30
AVPR1A P37288 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
SCHEMBL22052776 0.81 HRH3 (0.36) KMT2APKMDPP4HRH3MGLL
SCHEMBL22052773 0.79 KMT2A (0.33) KMT2ATSHRMEN1MAPTNPSR1
SCHEMBL21740219 0.77 KMT2A (0.38) KMT2ATSHRMEN1MAPTNPSR1
SCHEMBL21740228 0.75 PIM1 (0.37) KMT2ATSHRMEN1MAPTNPSR1
SCHEMBL21740217 0.74 ALDH1A1 (0.53) KMT2ATSHRMAPTPKMALDH1A1
SCHEMBL21739728 0.74 HRH4 (0.43) KMT2AALDH1A1
SCHEMBL21739718 0.73 JAK1 (0.35) KMT2ATSHRMEN1MAPTNPSR1
SCHEMBL21739173 0.73 ALDH1A1 (0.55) KMT2AMEN1MAPTHRH3ALDH1A1
SCHEMBL21739722 0.73 ALDH1A1 (0.37) KMT2ATSHRMEN1MAPTNPSR1
SCHEMBL21739194 0.71 RIPK1 (0.48) KMT2AMEN1MAPTDPP4ALDH1A1

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-20230049113-A1 METHODS OF TREATING WHSC1-OVEREXPRESSING CANCERS BY INHIBITING SETD2 Epizyme, Inc. 2023-02-16 US disclosed
WO-2020112872-A1 METHODS OF TREATING WHSC1-OVEREXPRESSING CANCERS BY INHIBITING SETD2 Epizyme, Inc. (US) 2020-06-04 WO 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 KMT2A 33/4885TSHR 4520/4885MEN1 1179/4885

“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.