SCHEMBL6170216

SCHEMBL6170216

O=[N+]([O-])c1ccc(-c2cnco2)c(Br)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AAK1 Q2M2I8 1/20 0.55
MEN1 O00255 4/20 0.46
KMT2A Q03164 4/20 0.46
POLB P06746 2/20 0.46
IMPDH2 P12268 2/20 0.45
PIK3CG P48736 1/20 0.41
ALDH1A1 P00352 2/20 0.41
PTPRC P08575 3/20 0.40
S100A4 P26447 2/20 0.40
GAA P10253 1/20 0.39
MAPT P10636 3/20 0.39
NPBWR1 P48145 1/20 0.39
CA1 P00915 1/20 0.39
CA2 P00918 1/20 0.39
CA7 P43166 1/20 0.39
CA9 Q16790 1/20 0.39
IMPDH1 P20839 1/20 0.38
CYP3A4 P08684 2/20 0.37
TDP1 Q9NUW8 2/20 0.37
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL16238827 0.88 AAK1 (0.55) AAK1MEN1KMT2APOLBIMPDH2
SCHEMBL8347590 0.84 GPR35 (0.47) AAK1MEN1KMT2AIMPDH2ALDH1A1
SCHEMBL30298789 0.82 ALDH1A1 (0.49) AAK1MEN1KMT2AIMPDH2ALDH1A1
SCHEMBL5774602 0.82 AAK1 (0.45) AAK1MEN1KMT2APOLBIMPDH2
SCHEMBL30292049 0.82 IMPDH2 (0.45) AAK1MEN1KMT2AIMPDH2ALDH1A1
SCHEMBL16371752 0.82 CYP3A4 (0.45) AAK1MEN1KMT2AIMPDH2ALDH1A1
SCHEMBL6224045 0.82 MAPT (0.53) AAK1MEN1KMT2APOLBIMPDH2
SCHEMBL6170663 0.82 ALDH1A1 (0.49) AAK1MEN1KMT2AIMPDH2ALDH1A1
SCHEMBL5777364 0.82 IMPDH2 (0.45) AAK1MEN1KMT2AIMPDH2ALDH1A1
SCHEMBL30292047 0.82 MAPT (0.53) AAK1MEN1KMT2APOLBIMPDH2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10253027-B2 Aryl lactam kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2019-04-09 US disclosed
US-20160152621-A1 ARYL LACTAM KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-06-02 US disclosed
US-20160152621-A1 ARYL LACTAM KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-06-02 US disclosed
US-20160152621-A1 ARYL LACTAM KINASE INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2016-06-02 US disclosed
EP-3019475-A1 ARYL AMIDE KINASE INHIBITORS Bristol-Myers Squibb Company (US) 2016-05-18 EP disclosed
CN-105517993-A Aryl amide kinase inhibitors BRISTOL MYERS SQUIBB CO 2016-04-20 CN disclosed
WO-2015006100-A1 ARYL AMIDE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-01-15 WO disclosed
WO-2015006100-A1 ARYL AMIDE KINASE INHIBITORS BRISTOL-MYERS SQUIBB COMPANY (US) 2015-01-15 WO disclosed
EP-1126843-A4 COMPOUNDS DERIVED FROM AN AMINE NUCLEUS THAT ARE INHIBITORS OF IMPDH ENZYME BRISTOL MYERS SQUIBB CO (US) 2005-06-15 EP disclosed
US-6399773-B1 AUTOIMMUNE DISEASE; TRANSPLANTING ORGANS BRISTOL-MYERS SQUIBB CO. 2002-06-04 US disclosed
EP-1126843-A1 COMPOUNDS DERIVED FROM AN AMINE NUCLEUS THAT ARE INHIBITORS OF IMPDH ENZYME BRISTOL-MYERS SQUIBB COMPANY (US) 2001-08-29 EP disclosed
WO-2000025780-A1 COMPOUNDS DERIVED FROM AN AMINE NUCLEUS THAT ARE INHIBITORS OF IMPDH ENZYME BRISTOL-MYERS SQUIBB COMPANY (US) 2000-05-11 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 (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-20160152621-A1 ARYL LACTAM KINASE INHIBITORS AAK1, ADCK1, ANKK1 AAK1 1/4885MEN1 4294/4885KMT2A 1882/4885
US-10253027-B2 Aryl lactam kinase inhibitors AAK1, ADCK1, ANKK1 AAK1 1/4885MEN1 4294/4885KMT2A 1882/4885

“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.