SCHEMBL3974790

SCHEMBL3974790

CN(Cc1cnc2c(Cl)c(Nc3ccc(Br)cc3Cl)c(C(=O)O)cn12)C(=O)OC(C)(C)C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 6/20 0.34
AAK1 Q2M2I8 3/20 0.34
SMC2 O95347 1/20 0.34
EGFR P00533 1/20 0.34
CSNK2A2 P19784 1/20 0.34
MAP2K2 P36507 1/20 0.34
SMC1A Q14683 1/20 0.34
Q6ZSR9 Q6ZSR9 1/20 0.34
BMP2K Q9NSY1 1/20 0.34
AURKA O14965 2/20 0.32
CDK2 P24941 2/20 0.32
HTR2C P28335 1/20 0.32
SLC6A4 P31645 1/20 0.32
TTK P33981 4/20 0.32
CCNA2 P20248 1/20 0.32
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31
THRB P10828 1/20 0.31
SRC P12931 1/20 0.31
FTO Q9C0B1 1/20 0.31

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
SCHEMBL4489635 0.93 MAP2K1 (0.34) MAP2K1AAK1SMC2EGFRCSNK2A2
SCHEMBL3973492 0.87 MAP2K1 (0.32) MAP2K1AAK1SMC2EGFRCSNK2A2
SCHEMBL3973489 0.86 MAP2K1 (0.49) MAP2K1AAK1SMC2EGFRCSNK2A2
SCHEMBL3974792 0.84 MAP2K1 (0.34) MAP2K1AAK1SMC2EGFRCSNK2A2
SCHEMBL3978143 0.80 MAP2K1 (0.41) MAP2K1AAK1SMC2EGFRCSNK2A2
SCHEMBL3974144 0.78 MAP2K1 (0.40) MAP2K1AAK1SMC2EGFRCSNK2A2
SCHEMBL3971180 0.77 MAP2K1 (0.34) MAP2K1AAK1SMC2EGFRCSNK2A2
SCHEMBL5331353 0.77 POLB (0.39) MAP2K1AAK1SMC2EGFRCSNK2A2
SCHEMBL3968996 0.77 MEN1 (0.45) MAP2K1AAK1SMC2EGFRCSNK2A2
SCHEMBL3979226 0.75 SRC (0.38) MAP2K1AAK1SMC2EGFRCSNK2A2

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 13 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-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
US-7230099-B2 Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA, INC. (US) 2007-06-12 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
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
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 94/4885AAK1 1652/4885SMC2 4084/4885
US-20050049419-A1 Heterocyclic inhibitors of MEK and methods of use thereof NRAS, BRAF, RAF1 MAP2K1 92/4885AAK1 1672/4885SMC2 4031/4885
US-20060189808-A1 Heterocyclic inhibitors of MEK and methods of use thereof NRAS, BRAF, RAF1 MAP2K1 92/4885AAK1 1938/4885SMC2 4221/4885
US-20050054701-A1 Heterocyclic inhibitors of MEK and methods of use thereof NRAS, BRAF, RAF1 MAP2K1 92/4885AAK1 1672/4885SMC2 4031/4885
US-20060030610-A1 Method of treating inflammatory diseases TNF, MPO, FABP2 MAP2K1 4674/4885AAK1 2874/4885SMC2 4878/4885
US-20060189668-A1 Method of treating hyperproliferative disorders using heterocyclic inhibitors of MEK NRAS, BRAF, RAF1 MAP2K1 42/4885AAK1 1229/4885SMC2 3210/4885

“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.