SCHEMBL2406367

SCHEMBL2406367

COc1cccc(-c2ccc(Br)nc2)c1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 1/20 0.54
CLK4 Q9HAZ1 1/20 0.54
PDGFRB P09619 1/20 0.54
PDGFRA P16234 1/20 0.54
FYN P06241 3/20 0.52
HSD17B1 P14061 1/20 0.50
HSD17B2 P37059 1/20 0.50
NPC1 O15118 1/20 0.50
MAPT P10636 1/20 0.50
RAB9A P51151 1/20 0.50
SMN1; SMN2 Q16637 1/20 0.50
EGLN1 Q9GZT9 1/20 0.50
MAP4K4 O95819 1/20 0.49
CYP1A1 P04798 1/20 0.48
CYP1A2 P05177 1/20 0.48
CYP2E1 P05181 1/20 0.48
CYP3A4 P08684 1/20 0.48
CYP2C8 P10632 1/20 0.48
CYP2D6 P10635 1/20 0.48
CYP2A6 P11509 1/20 0.48

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
SCHEMBL13575386 0.86 HSD17B1 (0.67) DYRK1ACLK4PDGFRBPDGFRAFYN
SCHEMBL3265693 0.83 ABL1 (0.55) DYRK1ACLK4PDGFRBPDGFRAFYN
SCHEMBL11153370 0.81 NPC1 (0.67) DYRK1ACLK4PDGFRBPDGFRAFYN
SCHEMBL12486978 0.81 MAP4K4 (0.62) DYRK1ACLK4PDGFRBPDGFRAFYN
SCHEMBL16675075 0.79 MAP4K4 (0.47) HSD17B1HSD17B2NPC1RAB9ASMN1; SMN2
SCHEMBL1180343 0.79 ABL1 (0.69) DYRK1ACLK4CYP1A1CYP1A2CYP2E1
SCHEMBL196765 0.79 CYP3A4 (0.73) DYRK1ACLK4CYP1A1CYP1A2CYP2E1
SCHEMBL29489425 0.79 CYP3A4 (0.73) DYRK1ACLK4CYP1A1CYP1A2CYP2E1
SCHEMBL24453555 0.79 CLK4 (0.50) DYRK1ACLK4PDGFRBPDGFRAFYN
SCHEMBL14266223 0.79 CLK4 (0.53) DYRK1ACLK4PDGFRBPDGFRAFYN

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 7 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
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
EP-2178840-A1 AZABIPHENYLAMINOBENZOIC ACID DERIVATIVES AS DHODH INHIBITORS Almirall, S.A. (ES) 2010-04-28 EP disclosed
EP-2100881-A1 Pyrimidyl- or pyridinylaminobenzoic acid derivatives Laboratorios Almirall, S.A. (ES) 2009-09-16 EP disclosed
WO-2009021696-A1 AZABIPHENYLAMINOBENZOIC ACID DERIVATIVES AS DHODH INHIBITORS ALMIRALL, S.A. (ES) 2009-02-19 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-20140005178-A1 AZABIPHENYLAMINOBENZOIC ACID DERIVATIVES AS DHODH INHIBITORS DHODH, DPYD, DLD DYRK1A 3606/4885CLK4 4864/4885PDGFRB 1329/4885
US-20110212945-A1 AZABIPHENYLAMINOBENZOIC ACID DERIVATIVES AS DHODH INHIBITORS DHODH, DPYD, DLD DYRK1A 3606/4885CLK4 4864/4885PDGFRB 1329/4885

“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.