SCHEMBL142543

SCHEMBL142543

O=C(Nc1ccc2[nH]nnc2c1)C1CCNC1

nearest known ligand 0.56

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
ULK1 O75385 8/20 0.56
PRKCQ Q04759 1/20 0.45
POLB P06746 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.44
KHK P50053 2/20 0.44
ALOX15 P16050 1/20 0.41
HTR6 P50406 2/20 0.41
DYRK1B Q9Y463 1/20 0.40
FLT3 P36888 1/20 0.40
PDPK1 O15530 1/20 0.40
ITGB3 P05106 1/20 0.40
ITGA2B P08514 1/20 0.40

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
SCHEMBL179131 0.80 ULK1 (0.50) ULK1
SCHEMBL16684845 0.78 ULK1 (0.50) ULK1PRKCQPOLBL3MBTL1KHK
SCHEMBL20661198 0.78 POLB (0.75) ULK1POLB
SCHEMBL18315551 0.75 ENPP2 (0.48) ULK1POLBL3MBTL1PDPK1
SCHEMBL30410367 0.74 CHRM5 (0.56)
SCHEMBL1156215 0.74 PEPD (0.42) PDPK1
SCHEMBL1247686 0.74 ROCK2 (0.55) POLB
SCHEMBL23390119 0.73 ULK1 (0.49) ULK1PRKCQKHKALOX15FLT3
SCHEMBL6037575 0.73 ALDH1A1 (0.52) ULK1POLBKHKALOX15FLT3
SCHEMBL9172845 0.73 ROCK2 (0.54) POLB

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-20120059016-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS AUTOTAXIN INHIBITORS MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2012-03-08 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-20120059016-A1 PIPERIDINE AND PIPERAZINE DERIVATIVES AS AUTOTAXIN INHIBITORS ENPP2, PLA2G12A, PLA2G2E ULK1 1901/4885PRKCQ 644/4885POLB 2460/4885

“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.