SCHEMBL1681367

SCHEMBL1681367

COc1cc(F)c(N)c(Nc2ccc(I)cc2F)c1F

nearest known ligand 0.50

Predicted protein targets (top 11)

geneUniProtsupporting neighboursconfidence
MAP2K1 Q02750 18/20 0.50
FLT1 P17948 1/20 0.47
MAP2K2 P36507 10/20 0.47
CHEK1 O14757 1/20 0.47
MAPK10 P53779 1/20 0.47
PRKAG1 P54619 1/20 0.47
ADCK1 Q86TW2 1/20 0.47
PRKAG2 Q9UGJ0 1/20 0.47
PIM1 P11309 1/20 0.42
CAMK2B Q13554 1/20 0.42
CA2 P00918 1/20 0.40

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
SCHEMBL345623 0.89 MAP2K1 (0.52) MAP2K1FLT1MAP2K2CHEK1MAPK10
SCHEMBL935637 0.86 MAP2K1 (0.50) MAP2K1FLT1MAP2K2CHEK1MAPK10
SCHEMBL11908624 0.84 KDR (0.48) MAP2K1MAP2K2
SCHEMBL392113 0.83 MAP2K1 (0.56) MAP2K1MAP2K2PIM1CAMK2BCA2
SCHEMBL11929738 0.82 MAP2K1 (0.49) MAP2K1MAP2K2PIM1CAMK2B
SCHEMBL1681842 0.81 MAP2K1 (0.42) MAP2K1FLT1MAP2K2CHEK1MAPK10
SCHEMBL1681646 0.79 MAP2K1 (0.49) MAP2K1FLT1MAP2K2CHEK1MAPK10
SCHEMBL390628 0.78 PIM1 (0.47) MAP2K1MAP2K2CHEK1MAPK10PRKAG1
SCHEMBL12943976 0.77 MAP2K1 (0.56) MAP2K1FLT1MAP2K2CHEK1MAPK10
SCHEMBL28787730 0.77 MAP2K1 (0.54) MAP2K1FLT1MAP2K2CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20150250762-A1 NOVEL MEK INHIBITORS FOR TREATING CARDIOMYOPATHIES AND RELATED CONDITIONS ALLOMEK THERAPEUTICS, LLC 2015-09-10 US disclosed
US-20150250762-A1 NOVEL MEK INHIBITORS FOR TREATING CARDIOMYOPATHIES AND RELATED CONDITIONS ALLOMEK THERAPEUTICS, LLC 2015-09-10 US disclosed
US-9034861-B2 MEK inhibitors useful in the treatment of diseases ALLOMEK THERAPEUTICS LLC (US) 2015-05-19 US disclosed
US-9034861-B2 MEK inhibitors useful in the treatment of diseases ALLOMEK THERAPEUTICS LLC (US) 2015-05-19 US disclosed
EP-2488507-B1 NOVEL MEK INHIBITORS, USEFUL IN THE TREATMENT OF DISEASES ALLOSTEM THERAPEUTICS LLC (US) 2014-12-17 EP disclosed
EP-2488507-B1 NOVEL MEK INHIBITORS, USEFUL IN THE TREATMENT OF DISEASES ALLOSTEM THERAPEUTICS LLC (US) 2014-12-17 EP disclosed
EP-2488507-A2 NOVEL MEK INHIBITORS, USEFUL IN THE TREATMENT OF DISEASES Allostem Therapeutics LLC (US) 2012-08-22 EP disclosed
US-20120208859-A1 NOVEL MEK INHIBITORS USEFUL IN THE TREATMENT OF DISEASES ALLOSTEM THERAPEUTICS LLC (US) 2012-08-16 US disclosed
US-20120208859-A1 NOVEL MEK INHIBITORS USEFUL IN THE TREATMENT OF DISEASES ALLOSTEM THERAPEUTICS LLC (US) 2012-08-16 US disclosed
WO-2011047055-A2 NOVEL MEK INHIBITORS, USEFUL IN THE TREATMENT OF DISEASES ALLOSTEM THERAPEUTICS LLC (US) 2011-04-21 WO disclosed
WO-2011047055-A2 NOVEL MEK INHIBITORS, USEFUL IN THE TREATMENT OF DISEASES ALLOSTEM THERAPEUTICS LLC (US) 2011-04-21 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-20150250762-A1 NOVEL MEK INHIBITORS FOR TREATING CARDIOMYOPATHIES AND RELATED CONDITIONS MYLK2, MAPK1, MAP3K1 MAP2K1 100/4885FLT1 1382/4885MAP2K2 80/4885
US-20120208859-A1 NOVEL MEK INHIBITORS USEFUL IN THE TREATMENT OF DISEASES NRAS, BRAF, MAP3K20 MAP2K1 205/4885FLT1 1345/4885MAP2K2 147/4885

“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.