SCHEMBL110247

SCHEMBL110247

N#Cc1cc(-c2ccc(Cl)c(Cl)c2)ccc1F

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AHR P35869 2/20 0.52
CYP11B2 P19099 4/20 0.49
CYP11B1 P15538 2/20 0.47
ESR1 P03372 3/20 0.46
ESR2 Q92731 3/20 0.46
CYP1B1 Q16678 1/20 0.45
PGR P06401 4/20 0.43
KMO O15229 2/20 0.42
ACLY P53396 1/20 0.42
S1PR4 O95977 1/20 0.42
S1PR1 P21453 1/20 0.42
S1PR3 Q99500 1/20 0.42
KDM4E B2RXH2 1/20 0.42
MEN1 O00255 1/20 0.42
ALDH1A1 P00352 1/20 0.42
CYP1A2 P05177 1/20 0.42
HPGD P15428 1/20 0.42
CYP2C19 P33261 1/20 0.42
KMT2A Q03164 1/20 0.42
CNR2 P34972 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
SCHEMBL34471914 0.85 CYP11B2 (0.59) AHRCYP11B2CYP11B1
SCHEMBL1514274 0.79 CYP11B1 (0.57) CYP11B2CYP11B1ESR1ESR2PGR
SCHEMBL2656616 0.77 AR (0.61) CYP11B2CYP11B1CNR2FLT3
SCHEMBL1514536 0.77 FLT3 (0.59) CYP11B2CYP11B1PGRACLYKDM4E
SCHEMBL481131 0.76 CYP2A6 (0.46) CYP11B2CYP11B1ESR1ESR2S1PR1
SCHEMBL29998893 0.76 CYP2A6 (0.46) CYP11B2CYP11B1ESR1ESR2S1PR1
SCHEMBL21497154 0.76 CYP11B1 (0.49) CYP11B2CYP11B1ESR1ESR2PGR
SCHEMBL5330921 0.76 FLT3 (0.45) CYP11B2CYP11B1ESR1ESR2PGR
SCHEMBL5067426 0.76 AR (0.57) ESR1ESR2CNR2FLT3
SCHEMBL24084180 0.75 AR (0.48) CYP11B2CYP11B1ESR1ESR2PGR

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
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
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 AHR 548/4885CYP11B2 773/4885CYP11B1 716/4885

“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.