SCHEMBL2409696

SCHEMBL2409696

COc1cccc(-c2ncc(Br)cc2C)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.49
DYRK1A Q13627 1/20 0.49
CLK4 Q9HAZ1 1/20 0.49
PDGFRB P09619 1/20 0.46
PDGFRA P16234 1/20 0.46
GAA P10253 1/20 0.45
ADORA2A P29274 3/20 0.44
ADORA1 P30542 2/20 0.44
SMN1; SMN2 Q16637 3/20 0.42
LMNA P02545 1/20 0.42
HTT P42858 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
RXFP1 Q9HBX9 1/20 0.42
NPC1 O15118 2/20 0.41
TP53 P04637 2/20 0.41
NFKB1 P19838 2/20 0.41
RAB9A P51151 2/20 0.41
NFKB2 Q00653 2/20 0.41
RELA Q04206 2/20 0.41
TDP1 Q9NUW8 2/20 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
SCHEMBL2407995 0.85 DHODH (0.51) DHODHGAASMN1; SMN2TP53RAB9A
SCHEMBL2406145 0.84 DHODH (0.53) DHODH
SCHEMBL2713495 0.84 ADORA2A (0.49) DYRK1ACLK4ADORA2AADORA1HTT
SCHEMBL13951544 0.82 DHODH (0.49) DHODHDYRK1ACLK4PDGFRBPDGFRA
SCHEMBL2404601 0.82 ADORA2A (0.50) DHODHDYRK1ACLK4PDGFRBPDGFRA
SCHEMBL18136474 0.79 DYRK1B (0.46) DHODHDYRK1ACLK4PDGFRBSMN1; SMN2
SCHEMBL2711039 0.78 NPC1 (0.48) DYRK1ACLK4GAAADORA2ASMN1; SMN2
SCHEMBL8257036 0.77 KCNA5 (0.43) DYRK1ACLK4PDGFRBPDGFRAADORA2A
SCHEMBL10094648 0.76 DYRK1A (0.62) DYRK1ACLK4GAAADORA2ASMN1; SMN2
SCHEMBL29930535 0.76 GAA (0.49) DYRK1ACLK4GAAADORA2AADORA1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140005178-A1 AZABIPHENYLAMINOBENZOIC ACID DERIVATIVES AS DHODH INHIBITORS ALMIRALL, S.A. (ES) 2014-01-02 US disclosed
US-8536165-B2 Azabiphenylaminobenzoic acid derivatives as DHODH inhibitors ALMIRALL, S.A. (ES) 2013-09-17 US disclosed
US-8536165-B2 Azabiphenylaminobenzoic acid derivatives as DHODH inhibitors ALMIRALL, S.A. (ES) 2013-09-17 US disclosed
US-8536165-B2 Azabiphenylaminobenzoic acid derivatives as DHODH inhibitors ALMIRALL, S.A. (ES) 2013-09-17 US disclosed
EP-2178840-B1 AZABIPHENYLAMINOBENZOIC ACID DERIVATIVES AS DHODH INHIBITORS ALMIRALL SA (ES) 2011-12-14 EP disclosed
US-20110212945-A1 AZABIPHENYLAMINOBENZOIC ACID DERIVATIVES AS DHODH INHIBITORS ALMIRALL, S.A. (ES) 2011-09-01 US disclosed
US-20110212945-A1 AZABIPHENYLAMINOBENZOIC ACID DERIVATIVES AS DHODH INHIBITORS ALMIRALL, S.A. (ES) 2011-09-01 US disclosed
US-20110212945-A1 AZABIPHENYLAMINOBENZOIC ACID DERIVATIVES AS DHODH INHIBITORS ALMIRALL, S.A. (ES) 2011-09-01 US disclosed
EP-2100881-A1 Pyrimidyl- or pyridinylaminobenzoic acid derivatives Laboratorios Almirall, S.A. (ES) 2009-09-16 EP disclosed
EP-2100881-A1 Pyrimidyl- or pyridinylaminobenzoic acid derivatives Laboratorios Almirall, S.A. (ES) 2009-09-16 EP 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-20140005178-A1 AZABIPHENYLAMINOBENZOIC ACID DERIVATIVES AS DHODH INHIBITORS DHODH, DPYD, DLD DHODH 1/4885DYRK1A 3606/4885CLK4 4864/4885
US-20110212945-A1 AZABIPHENYLAMINOBENZOIC ACID DERIVATIVES AS DHODH INHIBITORS DHODH, DPYD, DLD DHODH 1/4885DYRK1A 3606/4885CLK4 4864/4885

“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.