SCHEMBL7267441

SCHEMBL7267441

COc1cc(N)c(Br)cc1-c1cnco1

nearest known ligand 0.61

Predicted protein targets (top 3)

geneUniProtsupporting neighboursconfidence
IMPDH2 P12268 16/20 0.61
IMPDH1 P20839 1/20 0.61
AAK1 Q2M2I8 4/20 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
SCHEMBL16370951 0.86 IMPDH2 (0.66) IMPDH2IMPDH1AAK1
SCHEMBL16388514 0.82 IMPDH2 (0.61) IMPDH2IMPDH1AAK1
SCHEMBL5831513 0.82 IMPDH2 (0.61) IMPDH2IMPDH1AAK1
SCHEMBL16388851 0.80 IMPDH2 (0.58) IMPDH2IMPDH1AAK1
SCHEMBL27840101 0.79 IMPDH2 (0.64) IMPDH2IMPDH1AAK1
SCHEMBL7261629 0.79 IMPDH2 (0.57) IMPDH2IMPDH1AAK1
SCHEMBL17653376 0.79 IMPDH2 (0.57) IMPDH2IMPDH1AAK1
SCHEMBL6886449 0.78 IMPDH2 (0.56) IMPDH2IMPDH1AAK1
SCHEMBL6493179 0.78 IMPDH2 (0.56) IMPDH2IMPDH1AAK1
SCHEMBL6494363 0.77 KDM4E (0.56) IMPDH2IMPDH1AAK1

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 8 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
WO-2003053958-A1 QUINAZOLINEDIONE DERIVATIVES CELLTECH R & D LIMITED (GB) 2003-07-03 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 2947/4885AAK1 1/4885
US-10253027-B2 Aryl lactam kinase inhibitors AAK1, ADCK1, ANKK1 IMPDH2 3573/4885IMPDH1 2947/4885AAK1 1/4885

“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.