SCHEMBL109447

SCHEMBL109447

COC(=O)c1cc(Br)nc(-c2ccc(N3CCOCC3)cc2)c1N

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 4/20 0.47
MAPT P10636 3/20 0.47
RAB9A P51151 3/20 0.47
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
SMN1; SMN2 Q16637 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
ALDH1A1 P00352 3/20 0.45
KDM4E B2RXH2 3/20 0.45
ALOX15 P16050 1/20 0.45
MAPK1 P28482 1/20 0.43
APAF1 O14727 1/20 0.41
TDP2 O95551 1/20 0.41
NSD2 O96028 1/20 0.41
PLA2G1B P04054 1/20 0.41
HSP90AA1 P07900 1/20 0.41
PLCG1 P19174 1/20 0.41
GALK1 P51570 1/20 0.41
BLM P54132 1/20 0.41
PDIA6 Q15084 1/20 0.41

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
SCHEMBL110183 0.87 ATR (0.46) NPC1MAPTRAB9AMEN1KMT2A
SCHEMBL110162 0.86 KMT2A (0.47) MAPTRAB9AMEN1KMT2AALDH1A1
SCHEMBL110547 0.85 LMNA (0.53) MAPTMEN1KMT2ASMN1; SMN2ALDH1A1
SCHEMBL15800338 0.85 MAPT (0.41) NPC1MAPTRAB9AMEN1KMT2A
SCHEMBL15800339 0.82 MAPT (0.41) NPC1MAPTRAB9AMEN1KMT2A
SCHEMBL139223 0.80 MAPT (0.47) NPC1MAPTRAB9AMEN1KMT2A
SCHEMBL109071 0.80 CA12 (0.42) NPC1MAPTRAB9AMEN1KMT2A
SCHEMBL110726 0.80 KMT2A (0.52) RAB9AMEN1KMT2AALDH1A1JAK2
SCHEMBL139120 0.79 AKT1 (0.41) NPC1MAPTRAB9AMEN1KMT2A
SCHEMBL23958640 0.79 LMNA (0.49) NPC1MAPTRAB9ASMN1; SMN2ALDH1A1

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 11 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
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
CN-102325752-A Carbazole and carboline kinase inhibitors BRISTOL MYERS SQUIBB CO 2012-01-18 CN 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
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 NPC1 2156/4885MAPT 4508/4885RAB9A 2958/4885

“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.