SCHEMBL20768744

SCHEMBL20768744

Cn1cc(C(=O)N2CCNCC2)nn1

nearest known ligand 0.47

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ SIGMAR1 Q99720 1/20 0.47
▸ CCNC P24863 2/20 0.43
▸ CDK8 P49336 2/20 0.43
▸ RXFP1 Q9HBX9 1/20 0.43
▸ HRH4 Q9H3N8 2/20 0.42
▸ HRH3 Q9Y5N1 1/20 0.42
▸ HPGD P15428 1/20 0.41
▸ MKNK1 Q9BUB5 1/20 0.40
▸ MKNK2 Q9HBH9 1/20 0.40
▸ PARP1 P09874 3/20 0.39
▸ KMT2A Q03164 2/20 0.39
▸ POLB P06746 1/20 0.38
▸ HSP90AA1 P07900 1/20 0.38
▸ SCN7A Q01118 1/20 0.38
▸ KCNH2 Q12809 1/20 0.38
▸ SCN9A Q15858 1/20 0.38

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
SCHEMBL20769133 0.80 HPGD (0.44) SIGMAR1CCNCCDK8RXFP1HRH4
SCHEMBL18705897 0.77 SMYD3 (0.46) SIGMAR1RXFP1
SCHEMBL24779626 0.75 SMN1; SMN2 (0.43) —
SCHEMBL16026438 0.74 SMN1; SMN2 (0.56) SIGMAR1CCNCCDK8RXFP1HPGD
SCHEMBL30670344 0.74 L3MBTL1 (0.43) KMT2A
SCHEMBL7245767 0.73 GNE (0.62) SIGMAR1RXFP1HRH4HRH3MKNK1
SCHEMBL17714082 0.72 SIGMAR1 (0.53) SIGMAR1CCNCCDK8RXFP1HPGD
SCHEMBL24842756 0.72 RIPK1 (0.39) HRH4
Hydrochloric Acid SCHEMBL7252859 0.71 GNE (0.60) SIGMAR1RXFP1HRH4HRH3HPGD
SCHEMBL21873272 0.70 SIGMAR1 (0.46) SIGMAR1RXFP1HRH4HRH3HPGD

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-20190071416-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS AGENCY FOR SCIENCE, TECHNOLOGY AND RESEARCH (SG) 2019-03-07 — — US disclosed
CN-108419435-A Compound and epigenetics for treating cancer 新加坡科技研究局 2018-08-17 — — CN 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-20190071416-A1 COMPOUNDS FOR TREATMENT OF CANCER AND EPIGENETICS SMYD3, SMYD2, EHMT1 SIGMAR1 2445/4885CCNC 1365/4885CDK8 484/4885

“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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