SCHEMBL110029

SCHEMBL110029

COC(=O)c1cccc(Nc2ccc(-c3cccc(OC)c3)cc2C#N)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TP53 P04637 2/20 0.54
SMN1; SMN2 Q16637 2/20 0.54
MEN1 O00255 2/20 0.46
KMT2A Q03164 2/20 0.46
POLB P06746 1/20 0.46
PLAU P00749 4/20 0.46
PLAT P00750 2/20 0.46
PLG P00747 1/20 0.46
AKR1C3 P42330 4/20 0.46
AKR1C2 P52895 4/20 0.46
NPC1 O15118 3/20 0.46
ALDH1A1 P00352 2/20 0.46
RAB9A P51151 2/20 0.46
PKM P14618 1/20 0.46
HPGD P15428 1/20 0.46
MAPK1 P28482 1/20 0.46
GSK3B P49841 1/20 0.45
GAA P10253 1/20 0.45
GFER P55789 1/20 0.45
PGR P06401 1/20 0.45

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
SCHEMBL5928626 0.80 RAB9A (0.52) TP53SMN1; SMN2MEN1KMT2APOLB
SCHEMBL110034 0.78 LRRK2 (0.53) TP53SMN1; SMN2MEN1KMT2AAKR1C3
SCHEMBL110149 0.78 CDK1 (0.49) SMN1; SMN2MEN1KMT2ANPC1ALDH1A1
SCHEMBL5928456 0.77 SMN1; SMN2 (0.71) TP53SMN1; SMN2MEN1KMT2APOLB
SCHEMBL6432447 0.77 NEK1 (0.63) TP53SMN1; SMN2MEN1KMT2APOLB
SCHEMBL110138 0.76 ABL1 (0.50) MEN1KMT2APOLBALDH1A1GAA
SCHEMBL22887352 0.75 GAA (0.62) TP53SMN1; SMN2MEN1KMT2APOLB
Methyl 3-Methoxybenzoate SCHEMBL29702092 0.74 SMN1; SMN2 (0.73) TP53SMN1; SMN2MEN1KMT2APOLB
Methyl 3-Methoxybenzoate SCHEMBL384913 0.74 SMN1; SMN2 (0.73) TP53SMN1; SMN2MEN1KMT2APOLB
SCHEMBL6716525 0.73 PLAU (0.60) TP53SMN1; SMN2MEN1KMT2APOLB

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 TP53 452/4885SMN1; SMN2 3642/4885MEN1 2279/4885

“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.