SCHEMBL110167

SCHEMBL110167

COC(=O)c1cc(Br)nc(-c2ccc(OCc3ccccc3)cc2)c1N

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MCL1 Q07820 3/20 0.46
SMPD1 P17405 1/20 0.45
XDH P47989 1/20 0.45
CNR1 P21554 1/20 0.45
NPC1 O15118 1/20 0.44
RAB9A P51151 1/20 0.44
SMN1; SMN2 Q16637 1/20 0.44
DHODH Q02127 2/20 0.44
MAPT P10636 1/20 0.44
NPSR1 Q6W5P4 1/20 0.44
PLA2G2A P14555 1/20 0.43
LNPEP Q9UIQ6 2/20 0.43
MEN1 O00255 1/20 0.43
PABPC1 P11940 1/20 0.43
KMT2A Q03164 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
SCHEMBL110393 0.85 DHODH (0.52) MCL1XDHDHODHMAPTNPSR1
SCHEMBL138132 0.85 PTGER1 (0.44) MCL1SMPD1CNR1DHODH
SCHEMBL15976013 0.83 MCL1 (0.41) MCL1SMPD1CNR1NPC1RAB9A
SCHEMBL110248 0.82 KDM4E (0.42) CNR1RAB9AMAPTPLA2G2AMEN1
SCHEMBL109071 0.80 CA12 (0.42) NPC1RAB9ASMN1; SMN2MAPTNPSR1
SCHEMBL23958640 0.79 LMNA (0.49) NPC1RAB9ASMN1; SMN2DHODHMAPT
SCHEMBL110319 0.79 MAPT (0.48) CNR1NPC1RAB9ASMN1; SMN2DHODH
SCHEMBL111300 0.79 ALDH1A1 (0.41) DHODHMAPTMEN1KMT2A
SCHEMBL109836 0.76 ALOX5AP (0.40) RAB9AMAPTMEN1KMT2A
SCHEMBL139273 0.76 MKNK1 (0.45) MEN1PABPC1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8815840-B2 Carbazole and carboline kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-08-26 US disclosed
US-8815840-B2 Carbazole and carboline kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-08-26 US disclosed
US-8815840-B2 Carbazole and carboline kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2014-08-26 US disclosed
EP-2370407-B1 CARBAZOLE AND CARBOLINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-06-18 EP disclosed
EP-2370407-B1 CARBAZOLE AND CARBOLINE KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2014-06-18 EP disclosed
US-20120058988-A1 CARBAZOLE AND CARBOLINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-03-08 US disclosed
US-20120058988-A1 CARBAZOLE AND CARBOLINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-03-08 US disclosed
US-20120058988-A1 CARBAZOLE AND CARBOLINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY 2012-03-08 US disclosed
EP-2370407-A1 CARBAZOLE AND CARBOLINE KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2011-10-05 EP disclosed
WO-2010080474-A1 CARBAZOLE AND CARBOLINE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2010-07-15 WO 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-20120058988-A1 CARBAZOLE AND CARBOLINE KINASE INHIBITORS JAK2, JAK1, JAK3 MCL1 36/4885SMPD1 3358/4885XDH 1318/4885

“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.