SCHEMBL147456

SCHEMBL147456

CN1CCC(C2c3[nH]c4c(C(N)=O)cccc4c3CCC2C(N)=O)CC1

nearest known ligand 0.48

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 1/20 0.48
ALOX15 P16050 1/20 0.44
MAPK1 P28482 1/20 0.44
CASP1 P29466 1/20 0.44
CASP7 P55210 1/20 0.44
HSD17B10 Q99714 1/20 0.44
PARP1 P09874 5/20 0.41
PARP2 Q9UGN5 4/20 0.39
SIRT1 Q96EB6 1/20 0.37
HTR1A P08908 3/20 0.35
BTK Q06187 3/20 0.35

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
SCHEMBL151349 0.85 ALDH1A1 (0.47) ALDH1A1ALOX15MAPK1CASP1CASP7
SCHEMBL147457 0.69 ALOX15 (0.49) ALDH1A1ALOX15MAPK1CASP1CASP7
SCHEMBL1877502 0.68 ALDH1A1 (0.71) ALDH1A1ALOX15MAPK1CASP1CASP7
SCHEMBL29785257 0.68 ALDH1A1 (0.64) ALDH1A1ALOX15MAPK1CASP1CASP7
SCHEMBL145735 0.67 ALDH1A1 (0.57) ALDH1A1ALOX15MAPK1CASP1CASP7
SCHEMBL19279345 0.66 ALOX15 (0.50) ALDH1A1ALOX15MAPK1CASP1CASP7
SCHEMBL3697229 0.66 JAK2 (0.59) PARP1BTK
SCHEMBL5621893 0.65 PARP1 (0.67) PARP1PARP2
SCHEMBL16266107 0.65 ALDH1A1 (1.00) ALDH1A1ALOX15MAPK1CASP1CASP7
SCHEMBL31328323 0.64 ALOX15 (0.64) ALDH1A1ALOX15MAPK1CASP1CASP7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2391602-B1 CARBAZOLE CARBOXAMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2013-12-04 EP disclosed
US-8362065-B2 Carbazole carboxamide compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-29 US disclosed
US-20120058996-A1 CARBAZOLE CARBOXAMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-03-08 US disclosed
US-8084620-B2 Carbazole carboxamide compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2011-12-27 US disclosed
US-20100160303-A1 CARBAZOLE CARBOXAMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2010-06-24 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-20120058996-A1 CARBAZOLE CARBOXAMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BTK, FLT3, JAK1 ALDH1A1 3832/4885ALOX15 4154/4885MAPK1 239/4885
US-20100160303-A1 CARBAZOLE CARBOXAMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BTK, FLT3, JAK1 ALDH1A1 3832/4885ALOX15 4154/4885MAPK1 239/4885

“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.