SCHEMBL13343936

SCHEMBL13343936

CC(=O)c1cnc2c(c1Cl)CCN2

nearest known ligand 0.73

Predicted protein targets (top 5)

geneUniProtsupporting neighboursconfidence
▸ NNMT P40261 6/20 0.73
▸ PIK3C3 Q8NEB9 1/20 0.35
▸ NOTUM Q6P988 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31

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
SCHEMBL25787745 0.84 NNMT (1.00) NNMTPIK3C3NOTUM
SCHEMBL13991461 0.76 NNMT (0.49) NNMTPIK3C3SMN1; SMN2
SCHEMBL25787743 0.72 NNMT (1.00) NNMTPIK3C3
SCHEMBL18807214 0.68 NNMT (0.39) NNMTPOLBSMN1; SMN2
SCHEMBL14420700 0.63 MAPKAPK2 (0.46) NNMTPIK3C3SMN1; SMN2
SCHEMBL28055920 0.63 NNMT (0.43) NNMT
SCHEMBL14320242 0.62 NNMT (0.46) NNMTPIK3C3POLB
SCHEMBL17084210 0.62 POLB (0.34) POLBSMN1; SMN2
SCHEMBL16196568 0.62 NNMT (0.45) NNMT
SCHEMBL3803152 0.61 NNMT (0.44) NNMTNOTUM

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-20100120798-A1 SUBSTITUTED PIPERIDINES CONTAINING A HETEROARYLAMIDE OR HETEROARYLPHENYL MOIETY ASTEX THERAPEUTICS LIMITED (GB) 2010-05-13 — — US disclosed
US-20100016340-A1 PHARMACEUTICAL COMPOUNDS ASTEX THERAPEUTICS LIMITED (GB) 2010-01-21 — — 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-20100016340-A1 PHARMACEUTICAL COMPOUNDS PKN2, PKN1, CSNK1A1 NNMT 1318/4885PIK3C3 865/4885NOTUM 2537/4885
US-20100120798-A1 SUBSTITUTED PIPERIDINES CONTAINING A HETEROARYLAMIDE OR HETEROARYLPHENYL MOIETY GRK2, GNAO1, PTGER1 NNMT 2010/4885PIK3C3 2223/4885NOTUM 3928/4885

“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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