SCHEMBL2403932

SCHEMBL2403932

Cc1cc(N)cnc1-c1cccc(C(=O)N(C)C)c1

nearest known ligand 0.56

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
DHODH Q02127 2/20 0.56
MTOR P42345 3/20 0.52
PIK3CA P42336 2/20 0.52
CYP3A4 P08684 1/20 0.45
MAP4K1 Q92918 1/20 0.45
CDK1 P06493 2/20 0.44
CDK2 P24941 2/20 0.44
MKNK1 Q9BUB5 2/20 0.44
MKNK2 Q9HBH9 2/20 0.44
FYN P06241 3/20 0.44
ERN1 O75460 2/20 0.43
PDK1 Q15118 1/20 0.42
ATR Q13535 1/20 0.41
KCNA5 P22460 1/20 0.41
POLQ O75417 1/20 0.41
TEK Q02763 1/20 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
SCHEMBL2405991 0.85 DHODH (0.56) DHODHCDK1CDK2FYNATR
SCHEMBL13700134 0.84 DHODH (0.41) DHODHMTORPIK3CACDK1CDK2
SCHEMBL2402996 0.80 DHODH (0.55) DHODHMTORPIK3CACYP3A4MAP4K1
SCHEMBL13700140 0.80 DHODH (0.42) DHODHMTORPIK3CAFYNPDK1
SCHEMBL1744330 0.75 DHODH (0.47) DHODHMTORPIK3CACYP3A4MAP4K1
SCHEMBL21507847 0.74 CECR2 (0.48) MTORPIK3CACDK1CDK2MKNK1
SCHEMBL2406888 0.73 PDK1 (0.46) DHODHPDK1
SCHEMBL468422 0.73 DHODH (1.00) DHODH
SCHEMBL1172823 0.71 PBRM1 (0.55) CYP3A4ERN1
SCHEMBL2404601 0.71 ADORA2A (0.50) DHODHCYP3A4FYN

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 12 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-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
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 DHODH 1/4885MTOR 2095/4885PIK3CA 2070/4885
US-20110212945-A1 AZABIPHENYLAMINOBENZOIC ACID DERIVATIVES AS DHODH INHIBITORS DHODH, DPYD, DLD DHODH 1/4885MTOR 2095/4885PIK3CA 2070/4885

“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.