SCHEMBL391750

SCHEMBL391750

COC(=O)c1cc(Br)c(=O)n(C)c1Cl

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 5/20 0.43
KDM4E B2RXH2 2/20 0.43
HSD17B10 Q99714 1/20 0.43
ABL1 P00519 1/20 0.41
GABRA1 P14867 1/20 0.40
GABRG2 P18507 1/20 0.40
GABRB3 P28472 1/20 0.40
GABRA3 P34903 1/20 0.40
MAPK10 P53779 3/20 0.40
SMN1; SMN2 Q16637 2/20 0.40
KMT2A Q03164 2/20 0.40
GAA P10253 2/20 0.40
CYP1A2 P05177 1/20 0.40
CYP2D6 P10635 1/20 0.40
CYP2C9 P11712 1/20 0.40
CYP2C19 P33261 1/20 0.40
PPARG P37231 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
RXFP1 Q9HBX9 1/20 0.40
NCOR2 Q9Y618 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
SCHEMBL4142059 0.82 KMT2A (0.46) ALDH1A1KDM4EHSD17B10GABRA1GABRG2
SCHEMBL388866 0.82 ABL1 (0.42) ALDH1A1KDM4EHSD17B10ABL1GABRA1
SCHEMBL28458688 0.81 ESR1 (0.38) ALDH1A1HSD17B10MAPK10KMT2AGAA
SCHEMBL392990 0.81 ABL1 (0.41) ALDH1A1KDM4EABL1GABRA1GABRG2
SCHEMBL25309806 0.79 HSD17B10 (0.48) ALDH1A1KDM4EHSD17B10GABRA1GABRG2
SCHEMBL392388 0.79 ABL1 (0.41) ALDH1A1KDM4EABL1GABRA1GABRG2
SCHEMBL12503146 0.79 SMN1; SMN2 (0.42) ALDH1A1KDM4EHSD17B10GABRA1GABRG2
SCHEMBL15050905 0.78 ABL1 (0.47) ALDH1A1KDM4EHSD17B10ABL1GABRA1
SCHEMBL14269810 0.76 ABL1 (0.46) ALDH1A1KDM4EHSD17B10ABL1GABRA1
SCHEMBL22470690 0.75 GABRG2 (0.48) ALDH1A1KDM4EHSD17B10GABRA1GABRG2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111704611-B Aryl spiro SHP2 inhibitor compound, preparation method and application 上海凌达生物医药有限公司 2022-01-14 CN disclosed
CN-111704611-A Aryl spiro SHP2 inhibitor compound, preparation method and application 上海凌达生物医药有限公司 2020-09-25 CN disclosed
EP-2411366-B1 DIHYDROPYRIDIN SULFONAMIDES AND DIHYDROPYRIDIN SULFAMIDES AS MEK INHIBITORS ARDEA BIOSCIENCES INC (US) 2015-05-20 EP disclosed
EP-2411366-B1 DIHYDROPYRIDIN SULFONAMIDES AND DIHYDROPYRIDIN SULFAMIDES AS MEK INHIBITORS ARDEA BIOSCIENCES INC (US) 2015-05-20 EP disclosed
EP-2364973-B1 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC (US) 2014-07-09 EP disclosed
US-8673919-B2 Dihydropyridin sulfonamides and dihydropyridin sulfamides as MEK inhibitors ARDEA BIOSCIENCES, INC. (US) 2014-03-18 US disclosed
US-8673919-B2 Dihydropyridin sulfonamides and dihydropyridin sulfamides as MEK inhibitors ARDEA BIOSCIENCES, INC. (US) 2014-03-18 US disclosed
EP-2361905-B1 Heterocyclic Inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA INC (US) 2013-03-06 EP disclosed
CN-102942522-A Heterocyclic inhibitors of mek and methods of use thereof ARRAY BIOPHARMA INC 2013-02-27 CN disclosed
CN-102898364-A Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA INC 2013-01-30 CN disclosed
WO-2009050506-A2 COMBINATION 059 ASTRAZENECA AB (SE) 2009-04-23 WO disclosed
US-20090099174-A1 COMBINATION 059 ASTRAZENECA AB (SE) 2009-04-16 US disclosed
US-7517994-B2 Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA INC. (US) 2009-04-14 US disclosed
US-20080280957-A1 Heterocyclic Inhibitors of Mek and Methods of Use Thereof ARRAY BIOPHARMA, INC. (US) 2008-11-13 US disclosed
WO-2008125820-A1 COMBINATION THERAPY COMPRISING AZD2171 AND AZD6244 OR MEK-INHIBITOR II ASTRAZENECA AB (SE) 2008-10-23 WO disclosed
EP-1967516-A1 4-(phenylamino)-6-oxo-1,6-dihydropyridazine-3-carboxamide derivatives as MEK inhibitors for the treatment of hyperproliferative diseases Array Biopharma, Inc. (US) 2008-09-10 EP disclosed
EP-1922307-A2 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF Array Biopharma, Inc. (US) 2008-05-21 EP disclosed
US-20070112038-A1 Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA INC. 2007-05-17 US disclosed
WO-2007044084-A2 HETEROCYCLIC INHIBITORS OF MEK AND METHODS OF USE THEREOF ARRAY BIOPHARMA INC. (US) 2007-04-19 WO disclosed
US-20050256123-A1 Heterocyclic inhibitors of MEK and methods of use thereof ARRAY BIOPHARMA INC. 2005-11-17 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 (4 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-20090099174-A1 COMBINATION 059 MTOR, RICTOR, MAPK9 ALDH1A1 3754/4885KDM4E 245/4885HSD17B10 3416/4885
US-20070112038-A1 Heterocyclic inhibitors of MEK and methods of use thereof NRAS, BRAF, MAPK9 ALDH1A1 1723/4885KDM4E 665/4885HSD17B10 3139/4885
US-20080280957-A1 Heterocyclic Inhibitors of Mek and Methods of Use Thereof BRAF, NRAS, MAP3K1 ALDH1A1 2121/4885KDM4E 2205/4885HSD17B10 2519/4885
US-20050256123-A1 Heterocyclic inhibitors of MEK and methods of use thereof NRAS, BRAF, MAPK9 ALDH1A1 1992/4885KDM4E 728/4885HSD17B10 3329/4885

“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.