SCHEMBL21776355

SCHEMBL21776355

CCN1CCN(c2nc(-c3ccccn3)nc3scc(-c4ccccc4)c23)CC1

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.60
SMN1; SMN2 Q16637 5/20 0.60
CYP1A2 P05177 1/20 0.60
CYP2C19 P33261 1/20 0.60
L3MBTL1 Q9Y468 1/20 0.60
LMNA P02545 2/20 0.57
NPC1 O15118 1/20 0.57
HPGD P15428 1/20 0.57
CASP3 P42574 1/20 0.57
RAB9A P51151 1/20 0.57
SENP8 Q96LD8 1/20 0.57
SENP7 Q9BQF6 1/20 0.57
SENP6 Q9GZR1 1/20 0.57
KDM4E B2RXH2 3/20 0.56
NPSR1 Q6W5P4 1/20 0.56
TP53 P04637 1/20 0.55
MAPT P10636 3/20 0.49
MEN1 O00255 4/20 0.48
METAP1 P53582 1/20 0.46
HIF1A Q16665 2/20 0.46

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
SCHEMBL25312004 0.89 METAP1 (0.57) KMT2ASMN1; SMN2CYP1A2CYP2C19L3MBTL1
SCHEMBL30484183 0.89 SMN1; SMN2 (0.56) KMT2ASMN1; SMN2CYP1A2CYP2C19L3MBTL1
SCHEMBL18997730 0.89 SMN1; SMN2 (0.56) KMT2ASMN1; SMN2CYP1A2CYP2C19L3MBTL1
SCHEMBL23467920 0.89 SMN1; SMN2 (0.60) KMT2ASMN1; SMN2L3MBTL1LMNANPC1
SCHEMBL25315245 0.88 SMN1; SMN2 (0.61) KMT2ASMN1; SMN2L3MBTL1LMNANPC1
SCHEMBL25314481 0.87 LMNA (0.64) KMT2ASMN1; SMN2L3MBTL1LMNANPC1
SCHEMBL25316122 0.87 LMNA (0.64) KMT2ASMN1; SMN2L3MBTL1LMNANPC1
SCHEMBL25318037 0.87 LMNA (0.60) KMT2ASMN1; SMN2L3MBTL1LMNANPC1
SCHEMBL18997691 0.86 KDM4E (0.49) KMT2ASMN1; SMN2CYP1A2CYP2C19L3MBTL1
SCHEMBL18997715 0.85 KDM4E (0.50) KMT2ASMN1; SMN2CYP1A2CYP2C19L3MBTL1

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-11000515-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease SHY Therapeutics LLC (US) 2021-05-11 US disclosed
US-20200061037-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE SHY THERAPEUTICS, INC. 2020-02-27 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-11000515-B2 Compounds that interact with the Ras superfamily for the treatment of cancers, inflammatory diseases, rasopathies, and fibrotic disease HRAS, KRAS, NRAS KMT2A 4024/4885SMN1; SMN2 3555/4885CYP1A2 4764/4885
US-20200061037-A1 COMPOUNDS THAT INTERACT WITH THE RAS SUPERFAMILY FOR THE TREATMENT OF CANCERS, INFLAMMATORY DISEASES, RASOPATHIES, AND FIBROTIC DISEASE HRAS, KRAS, NRAS KMT2A 4024/4885SMN1; SMN2 3555/4885CYP1A2 4764/4885

“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.