SCHEMBL17981237

SCHEMBL17981237

Cc1cc2c(Br)cnc(N(C(=O)O)C(=O)OC(C)(C)C)c2cc1Cl

nearest known ligand 0.32

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.32
BACE1 P56817 1/20 0.30
CA12 O43570 1/20 0.30
CA1 P00915 1/20 0.30
CA2 P00918 1/20 0.30
CA9 Q16790 1/20 0.30

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
SCHEMBL17980996 0.94 PDPK1 (0.35) PDPK1
SCHEMBL17981153 0.82 SSTR4 (0.34) PDPK1BACE1
SCHEMBL17981175 0.81 KDM4E (0.33) BACE1
SCHEMBL17981437 0.80 PDPK1 (0.35) PDPK1
SCHEMBL17981213 0.77 SSTR4 (0.35) PDPK1
SCHEMBL17981357 0.76 PDPK1 (0.34) PDPK1
SCHEMBL25365912 0.76 AAK1 (0.41) PDPK1BACE1
SCHEMBL16059449 0.76 ALDH1A1 (0.34)
SCHEMBL17981113 0.75 PDPK1 (0.38) PDPK1BACE1
SCHEMBL17981255 0.75 DDR1 (0.40)

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20200031811-A1 SUBSTITUTED MONO- AND POLYAZANAPHTHALENE DERIVATIVES AND THEIR USE BASILEA PHARM INT AG (CH) 2020-01-30 US disclosed
US-20180002321-A1 SUBSTITUTED MONO- AND POLYAZANAPHTHALENE DERIVATIVES AND THEIR USE Basilea Pharmaceutica International AG (CH) 2018-01-04 US disclosed
EP-3256217-A1 SUBSTITUTED MONO- AND POLYAZANAPHTHALENE DERIVATIVES AND THEIR USE Basilea Pharmaceutica International AG (CH) 2017-12-20 EP disclosed
WO-2016128465-A1 SUBSTITUTED MONO- AND POLYAZANAPHTHALENE DERIVATIVES AND THEIR USE BASILEA PHARMACEUTICA AG (CH) 2016-08-18 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-20180002321-A1 SUBSTITUTED MONO- AND POLYAZANAPHTHALENE DERIVATIVES AND THEIR USE CBR3, SCO2, CBR1 PDPK1 4359/4885BACE1 2949/4885CA12 2424/4885
US-20200031811-A1 SUBSTITUTED MONO- AND POLYAZANAPHTHALENE DERIVATIVES AND THEIR USE CBR3, SCO2, CBR1 PDPK1 4357/4885BACE1 2962/4885CA12 2409/4885

“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.