SCHEMBL22299557

SCHEMBL22299557

Cc1cccc(C(CN2CCOCC2)C(C)(C)C)c1

nearest known ligand 0.49

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 13/20 0.49
L3MBTL1 Q9Y468 2/20 0.49
MEN1 O00255 12/20 0.47
NPC1 O15118 1/20 0.45
ATM Q13315 1/20 0.43
NPSR1 Q6W5P4 1/20 0.42

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
SCHEMBL22299266 0.88 KMT2A (0.49) KMT2AL3MBTL1MEN1NPC1ATM
SCHEMBL12437175 0.84 MEN1 (0.63) KMT2AMEN1NPC1ATMNPSR1
SCHEMBL20932207 0.81 L3MBTL1 (0.53) KMT2AL3MBTL1MEN1
SCHEMBL13007693 0.73 MEN1 (0.47) KMT2AMEN1NPC1ATM
SCHEMBL8477945 0.73 KMT2A (0.50) KMT2AL3MBTL1MEN1
SCHEMBL12569720 0.71 KCNA5 (0.46) KMT2AL3MBTL1NPSR1
SCHEMBL9164894 0.71 GRM5 (0.47) KMT2AL3MBTL1
SCHEMBL18889194 0.70 CYP2D6 (0.47) KMT2AL3MBTL1
SCHEMBL8251470 0.70 CYP2D6 (0.47) KMT2AL3MBTL1
SCHEMBL20711471 0.70 MEN1 (0.50) KMT2AMEN1NPC1ATM

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200247815-A1 PYRAZOLYL-CONTAINING TRICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF SHANGHAI HANSOH BIOMEDICAL CO., LTD. (CN) 2020-08-06 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 (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-20200247815-A1 PYRAZOLYL-CONTAINING TRICYCLIC DERIVATIVE, PREPARATION METHOD THEREFOR AND USE THEREOF MAPK1, MAPK11, MAPK14 KMT2A 3774/4885L3MBTL1 3754/4885MEN1 904/4885

“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.