SCHEMBL145642

SCHEMBL145642

CC(C)COC(=O)c1cccc2c(Br)cccc12

nearest known ligand 0.63

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.63
TSHR P16473 2/20 0.63
KDM4E B2RXH2 1/20 0.49
MEN1 O00255 5/20 0.48
KMT2A Q03164 5/20 0.48
MAPT P10636 2/20 0.48
TP53 P04637 1/20 0.48
NPY1R P25929 1/20 0.48
NPY2R P49146 1/20 0.48
ATM Q13315 1/20 0.48
NPSR1 Q6W5P4 1/20 0.48
ADRB2 P07550 2/20 0.47
ADRB1 P08588 2/20 0.47
ADRB3 P13945 2/20 0.47
PRNP P04156 1/20 0.45
AHR P35869 1/20 0.44
SMN1; SMN2 Q16637 2/20 0.43
NPC1 O15118 1/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43

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
SCHEMBL9710613 0.84 ALDH1A1 (0.77) ALDH1A1TSHRKDM4EMEN1KMT2A
SCHEMBL4627327 0.83 ALDH1A1 (0.65) ALDH1A1TSHRKDM4EMEN1KMT2A
SCHEMBL7848859 0.83 TSHR (0.59) ALDH1A1TSHRKDM4EMEN1KMT2A
SCHEMBL8028141 0.81 ALDH1A1 (0.72) ALDH1A1TSHRKDM4EMEN1KMT2A
SCHEMBL28792814 0.80 KMT2A (0.51) ALDH1A1TSHRMEN1KMT2AADRB2
SCHEMBL10796775 0.79 ALDH1A1 (0.58) ALDH1A1TSHRKDM4EMEN1KMT2A
SCHEMBL4627169 0.78 ALDH1A1 (0.58) ALDH1A1TSHRKDM4EMEN1KMT2A
SCHEMBL29387332 0.78 ALDH1A1 (1.00) ALDH1A1TSHRKDM4EMEN1KMT2A
SCHEMBL42787 0.78 ALDH1A1 (1.00) ALDH1A1TSHRKDM4EMEN1KMT2A
SCHEMBL8144263 0.78 ALDH1A1 (1.00) ALDH1A1TSHRKDM4EMEN1KMT2A

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 7 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
EP-2391602-A1 CARBAZOLE CARBOXAMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2011-12-07 EP disclosed
WO-2010080481-A1 CARBAZOLE CARBOXAMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-07-15 WO 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 3832/4885TSHR 1952/4885KDM4E 733/4885
US-20100160303-A1 CARBAZOLE CARBOXAMIDE COMPOUNDS USEFUL AS KINASE INHIBITORS BTK, FLT3, JAK1 ALDH1A1 3832/4885TSHR 1952/4885KDM4E 733/4885

“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.