SCHEMBL6169923

SCHEMBL6169923

Nc1ccc(-c2cnco2)c(Br)c1

nearest known ligand 0.60

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 6/20 0.60
IMPDH1 P20839 3/20 0.60
MAP4K4 O95819 1/20 0.51
GAA P10253 2/20 0.44
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
AAK1 Q2M2I8 4/20 0.40
PTK2 Q05397 1/20 0.39
NOTUM Q6P988 1/20 0.37
LMNA P02545 1/20 0.37
PKM P14618 1/20 0.37
CYP11B1 P15538 1/20 0.37
CYP11B2 P19099 1/20 0.37
MAPT P10636 1/20 0.34
KEAP1 Q14145 1/20 0.34

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
SCHEMBL16238614 0.86 IMPDH2 (0.56) IMPDH2IMPDH1MAP4K4GAAMEN1
SCHEMBL8347880 0.81 IMPDH2 (0.62) IMPDH2IMPDH1MAP4K4GAAMEN1
SCHEMBL6168364 0.79 IMPDH2 (0.65) IMPDH2IMPDH1MAP4K4GAAAAK1
SCHEMBL5780722 0.79 IMPDH2 (0.60) IMPDH2IMPDH1MAP4K4GAAMEN1
SCHEMBL17295705 0.79 NOTUM (0.53) IMPDH2IMPDH1MAP4K4GAAMEN1
SCHEMBL6170749 0.79 IMPDH2 (0.60) IMPDH2IMPDH1MAP4K4GAAMEN1
SCHEMBL2427867 0.79 LMNA (0.53) IMPDH2IMPDH1GAAMEN1KMT2A
SCHEMBL30702221 0.79 NOTUM (0.53) IMPDH2IMPDH1MAP4K4GAAMEN1
SCHEMBL29454983 0.79 IMPDH2 (0.60) IMPDH2IMPDH1MAP4K4GAAMEN1
SCHEMBL5779035 0.79 IMPDH2 (0.60) IMPDH2IMPDH1MAP4K4GAAMEN1

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-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
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 IMPDH2 3573/4885IMPDH1 2947/4885MAP4K4 101/4885
US-10253027-B2 Aryl lactam kinase inhibitors AAK1, ADCK1, ANKK1 IMPDH2 3573/4885IMPDH1 2947/4885MAP4K4 101/4885

“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.