SCHEMBL3974682

SCHEMBL3974682

O=C(O)c1cn2ccnc2c(Cl)c1Nc1ccc(Br)cc1F

nearest known ligand 0.53

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 17/20 0.53
MAP2K2 P36507 1/20 0.43
FPR2 P25090 1/20 0.39
KDM4E B2RXH2 1/20 0.38
HDAC1 Q13547 1/20 0.38
HDAC6 Q9UBN7 1/20 0.38

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
SCHEMBL14500091 0.93 MAP2K1 (0.53) MAP2K1MAP2K2
SCHEMBL1488560 0.89 MAP2K1 (0.60) MAP2K1MAP2K2KDM4E
SCHEMBL3973762 0.89 NUDT1 (0.42) MAP2K1MAP2K2KDM4E
SCHEMBL29413590 0.89 MAP2K1 (0.60) MAP2K1MAP2K2KDM4E
SCHEMBL3978440 0.89 CLCN2 (0.42) MAP2K1MAP2K2KDM4E
SCHEMBL1342912 0.89 MAP2K1 (0.40) MAP2K1MAP2K2KDM4E
SCHEMBL4239049 0.89 MAP2K1 (0.47) MAP2K1MAP2K2
SCHEMBL3972045 0.89 MAP2K1 (0.50) MAP2K1MAP2K2
SCHEMBL3980231 0.88 MAP2K1 (0.56) MAP2K1MAP2K2FPR2KDM4E
SCHEMBL1488337 0.88 MAP2K1 (0.53) MAP2K1MAP2K2

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 26 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7538120-B2 Method of treating inflammatory diseases ARRAY BIOPHARMA INC. (US) 2009-05-26 US claimed
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
EP-1673339-A4 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC (US) 2009-04-29 EP disclosed
US-7511058-B2 Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA INC. (US) 2009-03-31 US disclosed
US-7511058-B2 Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA INC. (US) 2009-03-31 US disclosed
US-7511058-B2 Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA INC. (US) 2009-03-31 US disclosed
US-7271178-B2 Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA, INC. (US) 2007-09-18 US disclosed
WO-2007022529-A2 METHOD OF TREATING INFLAMMATORY DISEASES ARRAY BIOPHARMA INC. (US) 2007-02-22 WO disclosed
US-7144907-B2 Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA INC. (US) 2006-12-05 US disclosed
US-20060189649-A1 Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA INC. (US) 2006-08-24 US disclosed
US-20060189808-A1 Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA INC. (US) 2006-08-24 US disclosed
US-20060189668-A1 Method of treating hyperproliferative disorders using heterocyclic inhibitors of MEK ARRAY BIOPHARMA INC. (US) 2006-08-24 US disclosed
EP-1673339-A2 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2006-06-28 EP disclosed
US-20060030610-A1 Method of treating inflammatory diseases ARRAY BIOPHARMA INC. 2006-02-09 US disclosed
WO-2005023759-A2 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2005-03-17 WO disclosed
US-20050054701-A1 Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA INC. 2005-03-10 US disclosed
US-20050049419-A1 Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA, INC. 2005-03-03 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 (6 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-20060189649-A1 Heterocyclic inhibitors of MEK and methods of use thereof NRAS, BRAF, RAF1 MAP2K1 94/4885MAP2K2 85/4885FPR2 1870/4885
US-20050049419-A1 Heterocyclic inhibitors of MEK and methods of use thereof NRAS, BRAF, RAF1 MAP2K1 92/4885MAP2K2 85/4885FPR2 1763/4885
US-20060189808-A1 Heterocyclic inhibitors of MEK and methods of use thereof NRAS, BRAF, RAF1 MAP2K1 92/4885MAP2K2 88/4885FPR2 1808/4885
US-20050054701-A1 Heterocyclic inhibitors of MEK and methods of use thereof NRAS, BRAF, RAF1 MAP2K1 92/4885MAP2K2 85/4885FPR2 1763/4885
US-20060030610-A1 Method of treating inflammatory diseases TNF, MPO, FABP2 MAP2K1 4674/4885MAP2K2 4515/4885FPR2 89/4885
US-20060189668-A1 Method of treating hyperproliferative disorders using heterocyclic inhibitors of MEK NRAS, BRAF, RAF1 MAP2K1 42/4885MAP2K2 38/4885FPR2 2634/4885

“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.