SCHEMBL12424432

SCHEMBL12424432

CC(C)C1CCC(NC(=O)c2cccnc2)CC1

nearest known ligand 0.68

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.64
L3MBTL1 Q9Y468 2/20 0.64
HTT P42858 2/20 0.61
MAPT P10636 1/20 0.57
SMN1; SMN2 Q16637 2/20 0.54
GRM5 P41594 1/20 0.52
RAB9A P51151 2/20 0.51
NPC1 O15118 1/20 0.51
TP53 P04637 1/20 0.51
KDM5A P29375 1/20 0.49
MMP2 P08253 2/20 0.49
ANPEP P15144 2/20 0.49
SORT1 Q99523 1/20 0.49
LMNA P02545 1/20 0.49
HIF1A Q16665 1/20 0.49
HDAC1 Q13547 1/20 0.49
HDAC6 Q9UBN7 1/20 0.49
RORC P51449 1/20 0.48
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48

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
SCHEMBL1116630 0.89 ALDH1A1 (0.78) ALDH1A1L3MBTL1HTTMAPTSMN1; SMN2
SCHEMBL12424958 0.85 ALDH1A1 (0.69) ALDH1A1L3MBTL1HTTMAPTSMN1; SMN2
SCHEMBL7743345 0.84 ALDH1A1 (0.65) ALDH1A1L3MBTL1HTTMAPTSMN1; SMN2
SCHEMBL7743350 0.84 ALDH1A1 (0.65) ALDH1A1L3MBTL1HTTMAPTSMN1; SMN2
SCHEMBL5783791 0.83 ALDH1A1 (0.71) ALDH1A1L3MBTL1HTTMAPTSMN1; SMN2
SCHEMBL3427705 0.83 ALDH1A1 (0.74) ALDH1A1L3MBTL1HTTMAPTSMN1; SMN2
SCHEMBL3427969 0.83 ALDH1A1 (0.70) ALDH1A1L3MBTL1HTTMAPTSMN1; SMN2
SCHEMBL17132548 0.83 MEN1 (0.61) ALDH1A1L3MBTL1MAPTSMN1; SMN2RAB9A
SCHEMBL19691213 0.82 ALDH1A1 (0.69) ALDH1A1L3MBTL1HTTMAPTSMN1; SMN2
SCHEMBL19691212 0.82 ALDH1A1 (0.69) ALDH1A1L3MBTL1HTTMAPTSMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9546153-B2 Bicyclic heterocycle substituted pyridyl compounds useful as kinase modulators BRISTOL-MYERS SQUIBB COMPANY (US) 2017-01-17 US disclosed
US-20150274696-A1 BICYCLIC HETEROCYCLE SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE MODULATORS BRISTOL-MYERS SQUIBB COMPANY 2015-10-01 US disclosed
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF GENENTECH, INC. (US) 2011-08-18 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-20150274696-A1 BICYCLIC HETEROCYCLE SUBSTITUTED PYRIDYL COMPOUNDS USEFUL AS KINASE MODULATORS IRAK4, IRAK1, IRAK3 ALDH1A1 3540/4885L3MBTL1 1756/4885HTT 4051/4885
US-20110201593-A1 TRICYCLIC HETEROCYCLIC COMPOUNDS, COMPOSITIONS AND METHODS OF USE THEREOF CCNY, CCNA1, CCNA2 ALDH1A1 1168/4885L3MBTL1 3165/4885HTT 2128/4885

“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.