Sugi Predict

Sugi Predict / Compounds / SCHEMBL13021340

SCHEMBL13021340

SCHEMBL13021340

Cc1ccc(Nc2c(NS(=O)(=O)C3(CCO)CC3)cc3c(C)ccnc3c2F)c(F)c1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ MAP2K1 Q02750 3/20 0.38
▸ CHEK1 O14757 1/20 0.38
▸ MAP2K2 P36507 1/20 0.38
▸ MAPK10 P53779 1/20 0.38
▸ PRKAG1 P54619 1/20 0.38
▸ ADCK1 Q86TW2 1/20 0.38
▸ PRKAG2 Q9UGJ0 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.34
▸ CSF1R P07333 1/20 0.33
▸ HDAC3 O15379 1/20 0.33
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ SCN5A Q14524 4/20 0.32
▸ TGFBR1 P36897 1/20 0.31
▸ KCNH2 Q12809 4/20 0.31
▸ MEN1 O00255 2/20 0.30
▸ KMT2A Q03164 2/20 0.30
▸ MAPK1 P28482 1/20 0.30
▸ CYP1A2 P05177 1/20 0.30
▸ CYP2C19 P33261 1/20 0.30

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
SCHEMBL1342794 0.91 MAP2K1 (0.39) MAP2K1CHEK1MAP2K2MAPK10PRKAG1
SCHEMBL19050836 0.83 MAP2K1 (0.45) MAP2K1CHEK1MAP2K2MAPK10PRKAG1
SCHEMBL14016208 0.80 MAP2K1 (0.45) MAP2K1CHEK1MAP2K2MAPK10PRKAG1
SCHEMBL1343936 0.80 MAP2K1 (0.46) MAP2K1CHEK1MAP2K2MAPK10PRKAG1
SCHEMBL19050821 0.78 MAP2K1 (0.51) MAP2K1CHEK1MAP2K2MAPK10PRKAG1
SCHEMBL1343442 0.77 MAP2K1 (0.46) MAP2K1CHEK1MAP2K2MAPK10PRKAG1
SCHEMBL1344431 0.77 MAP2K1 (0.45) MAP2K1CHEK1MAP2K2MAPK10PRKAG1
SCHEMBL1342335 0.74 CSF1R (0.32) MAP2K1CHEK1MAP2K2MAPK10PRKAG1
SCHEMBL19050663 0.74 MAP2K1 (0.65) MAP2K1CHEK1MAP2K2MAPK10PRKAG1
SCHEMBL1343777 0.74 MAP2K1 (0.46) MAP2K1CHEK1MAP2K2MAPK10PRKAG1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20100331334-A1 INHIBITORS OF MEK ARDEA BIOSCIENCES, INC. 2010-12-30 — — US disclosed
US-7820664-B2 Inhibitors of MEK BAYER SCHERING PHARMA AG (DE) 2010-10-26 — — US disclosed
US-20080255133-A1 N-(2-aylamino)aryl sulfonamides such as N-(7-(4-bromo-2-fluorophenylamino)imidazo[1,2-b]pyridazin-6-yl)-1-(2-hydroxyethyl)cyclopropane-1-sulfonamide; mitogen-activated ERK activating kinase (MEK) inhibitors; antiproliferative, anticarcinogenic, and antiinflammatory agents ARDEA BIOSCIENCES, INC. (US) 2008-10-16 — — 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-20080255133-A1 N-(2-aylamino)aryl sulfonamides such as N-(7-(4-bromo-2-fluorophenylamino)imidazo[1,2-b]pyridazin-6-yl)-1-(2-hydroxyethyl)cyclopropane-1-sulfonamide; mitogen-activated ERK activating kinase (MEK) inhibitors; antiproliferative, anticarcinogenic, and antiinflammatory agents MAPK8, MAP3K8, MAP3K2 MAP2K1 51/4885CHEK1 152/4885MAP2K2 38/4885
US-20100331334-A1 INHIBITORS OF MEK NRAS, BRAF, KSR2 MAP2K1 54/4885CHEK1 92/4885MAP2K2 45/4885

“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.