SCHEMBL4150303

SCHEMBL4150303

CN1CCN(CCCNC(=O)c2c[c]cnc2)CC1

nearest known ligand 0.54

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 2/20 0.50
▸ MAPT P10636 2/20 0.50
▸ SMN1; SMN2 Q16637 2/20 0.50
▸ ALDH1A1 P00352 1/20 0.50
▸ GAA P10253 1/20 0.50
▸ MAPK1 P28482 1/20 0.50
▸ HTT P42858 1/20 0.50
▸ PHF13 Q86YI8 1/20 0.49
▸ L3MBTL3 Q96JM7 1/20 0.49
▸ L3MBTL1 Q9Y468 1/20 0.49
▸ RAD52 P43351 1/20 0.48
▸ HTR1A P08908 1/20 0.48
▸ HTR2A P28223 1/20 0.48
▸ DRD3 P35462 1/20 0.48
▸ HDAC2 Q92769 1/20 0.48
▸ HDAC8 Q9BY41 1/20 0.48
▸ HDAC6 Q9UBN7 1/20 0.48
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45

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
SCHEMBL17599747 0.81 ALDH1A1 (0.63) LMNAMAPTSMN1; SMN2ALDH1A1GAA
SCHEMBL13778294 0.79 PHF13 (0.56) LMNAMAPTSMN1; SMN2ALDH1A1GAA
SCHEMBL3730623 0.77 KDM4E (0.47) ALDH1A1GAAPHF13L3MBTL3L3MBTL1
SCHEMBL3723632 0.76 HPGD (0.50) MAPTSMN1; SMN2ALDH1A1GAAHTT
SCHEMBL16227646 0.75 ALDH1A1 (0.69) LMNAMAPTSMN1; SMN2ALDH1A1GAA
SCHEMBL15367337 0.74 HDAC4 (0.43) HDAC6
SCHEMBL3348125 0.74 KDM4E (0.42) SMN1; SMN2ALDH1A1GAAHTTMEN1
SCHEMBL31246006 0.74 MAPT (0.63) LMNAMAPTSMN1; SMN2ALDH1A1GAA
SCHEMBL178534 0.74 KMT2A (0.71) LMNAMAPTSMN1; SMN2ALDH1A1GAA
SCHEMBL13450228 0.73 SMN1; SMN2 (0.56) LMNAMAPTSMN1; SMN2ALDH1A1GAA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8314112-B2 Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG (CH) 2012-11-20 — — US claimed
US-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines NOVARTIS AG (CH) 2009-07-16 — — US claimed
US-8314112-B2 Pyrrolopyrimidines and pyrrolopyridines NOVARTIS AG (CH) 2012-11-20 — — US disclosed
US-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines NOVARTIS AG (CH) 2009-07-16 — — 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-20090181941-A1 Pyrrolopyrimidines and Pyrrolopyridines ALK, ACVR1, PTPN4 LMNA 2708/4885MAPT 1924/4885SMN1; SMN2 3064/4885

“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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