SCHEMBL2404173

SCHEMBL2404173

Nc1cnc(-c2ccccc2)c(-c2ccccc2)c1

nearest known ligand 0.46

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
TDO2 P48775 2/20 0.46
ADORA1 P30542 7/20 0.45
ADORA2A P29274 4/20 0.45
CYP11B1 P15538 1/20 0.44
CYP11B2 P19099 1/20 0.44
KMT2A Q03164 1/20 0.43
ATM Q13315 1/20 0.43
TLR9 Q9NR96 1/20 0.43
EP300 Q09472 1/20 0.42
AKT1 P31749 1/20 0.42
SMARCA2 P51531 1/20 0.41
SMARCA4 P51532 1/20 0.41
PBRM1 Q86U86 1/20 0.41
LMNA P02545 1/20 0.41
ASIC3 Q9UHC3 1/20 0.41
USP7 Q93009 1/20 0.41
MAP4K4 O95819 1/20 0.41
FGFR1 P11362 1/20 0.41
SRC P12931 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
SCHEMBL31181608 0.91 ADORA2A (0.58) TDO2ADORA1ADORA2ACYP11B1CYP11B2
SCHEMBL3543470 0.82 MAP4K4 (0.59) TDO2SMARCA2SMARCA4PBRM1LMNA
SCHEMBL2407456 0.81 ADORA2A (0.58) TDO2ADORA1ADORA2AKMT2A
SCHEMBL28030238 0.81 MAP4K4 (0.47) TDO2KMT2AMAP4K4
SCHEMBL22919425 0.79 ADORA1 (0.45) ADORA1ADORA2AKMT2AATMTLR9
SCHEMBL27808857 0.79 ALDH1A1 (0.50) ADORA1ADORA2ALMNAMAP4K4
SCHEMBL29739433 0.78 FEN1 (0.51) ADORA1ADORA2AKMT2AATMTLR9
SCHEMBL2406888 0.78 PDK1 (0.46) ADORA1ADORA2AKMT2AATMTLR9
SCHEMBL14923566 0.78 IRAK4 (0.46) TDO2ADORA1KMT2AAKT1SMARCA2
SCHEMBL14988636 0.78 MAP4K4 (0.47) TDO2ADORA1ADORA2AKMT2ASMARCA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3042658-B1 MEDICINAL COMPOSITION IMPROVING LEPTIN RESISTANCE UNIV KYOTO (JP) 2019-01-16 EP disclosed
US-9573887-B2 Naphthalene derivative DAITO CHEMIX CORPORATION (JP) 2017-02-21 US disclosed
EP-2599771-B1 NAPHTHALENE DERIVATIVE DAITO CHEMIX CORP (JP) 2016-09-14 EP disclosed
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
US-20130184241-A1 Naphthalene Derivative KYOTO UNIVERSITY (JP) 2013-07-18 US disclosed
EP-2599771-A1 NAPHTHALENE DERIVATIVE Daito Chemix Corporation (JP) 2013-06-05 EP 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
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 (3 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-20130184241-A1 Naphthalene Derivative VCP, NOC2L, VAT1 TDO2 2714/4885ADORA1 4225/4885ADORA2A 4508/4885
US-20140005178-A1 AZABIPHENYLAMINOBENZOIC ACID DERIVATIVES AS DHODH INHIBITORS DHODH, DPYD, DLD TDO2 297/4885ADORA1 2919/4885ADORA2A 2743/4885
US-20110212945-A1 AZABIPHENYLAMINOBENZOIC ACID DERIVATIVES AS DHODH INHIBITORS DHODH, DPYD, DLD TDO2 297/4885ADORA1 2919/4885ADORA2A 2743/4885

“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.