SCHEMBL4088292

SCHEMBL4088292

Cc1cc(Br)ccc1Nc1c(C(=O)O)cn2ccnc2c1Cl

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
L3MBTL1 Q9Y468 1/20 0.42
MAP2K1 Q02750 1/20 0.41
MAPT P10636 2/20 0.39
GAA P10253 1/20 0.39
THRB P10828 1/20 0.39
MEN1 O00255 2/20 0.38
KMT2A Q03164 2/20 0.38
SORT1 Q99523 7/20 0.38
CLCN2 P51788 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP1A2 P05177 1/20 0.38
CYP3A4 P08684 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
FTO Q9C0B1 3/20 0.37
TTR P02766 2/20 0.37
AKR1B10 O60218 1/20 0.37
ABCB11 O95342 1/20 0.37
ADORA3 P0DMS8 1/20 0.37

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
SCHEMBL1342912 0.89 MAP2K1 (0.40) L3MBTL1MAP2K1MEN1KMT2ASORT1
SCHEMBL3979835 0.88 MAP2K1 (0.50) L3MBTL1MAP2K1MAPTGAATHRB
SCHEMBL3974682 0.88 MAP2K1 (0.53) MAP2K1KDM4E
SCHEMBL3971678 0.84 MAP2K1 (0.41) L3MBTL1MAP2K1MEN1KMT2ASORT1
SCHEMBL14500090 0.83 MAP2K1 (0.56) MAP2K1CYP2C9CYP2C19ABCB11
SCHEMBL14499986 0.82 IRAK4 (0.41) L3MBTL1MAP2K1MEN1KMT2ARAB9A
SCHEMBL3979053 0.82 L3MBTL1 (0.39) L3MBTL1MAP2K1MAPTGAAMEN1
SCHEMBL3971565 0.81 SRC (0.44) MAP2K1MAPTGAAKDM4EFTO
SCHEMBL14499784 0.80 MAP2K1 (0.51) L3MBTL1MAP2K1MAPTKDM4ECYP1A2
SCHEMBL1343797 0.80 MAP2K1 (0.39) L3MBTL1MAP2K1MAPTGAATHRB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1673339-B1 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC (US) 2013-07-03 EP disclosed
US-7538120-B2 Method of treating inflammatory diseases ARRAY BIOPHARMA INC. (US) 2009-05-26 US disclosed
US-7538120-B2 Method of treating inflammatory diseases ARRAY BIOPHARMA INC. (US) 2009-05-26 US disclosed
US-7538120-B2 Method of treating inflammatory diseases ARRAY BIOPHARMA INC. (US) 2009-05-26 US disclosed
US-7230099-B2 Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA, INC. (US) 2007-06-12 US disclosed
US-7230099-B2 Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA, INC. (US) 2007-06-12 US disclosed
US-7230099-B2 Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA, INC. (US) 2007-06-12 US disclosed
US-20060030610-A1 Method of treating inflammatory diseases ARRAY BIOPHARMA INC. 2006-02-09 US disclosed
US-20050054701-A1 Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA INC. 2005-03-10 US 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-20050054701-A1 Heterocyclic inhibitors of MEK and methods of use thereof NRAS, BRAF, RAF1 L3MBTL1 1497/4885MAP2K1 92/4885MAPT 4838/4885
US-20060030610-A1 Method of treating inflammatory diseases TNF, MPO, FABP2 L3MBTL1 3271/4885MAP2K1 4674/4885MAPT 2661/4885

“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.