SCHEMBL1038083

SCHEMBL1038083

COC(=O)c1cc2[nH]cnc2c(F)c1Nc1ccc(Br)cc1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.40
CYP3A4 P08684 1/20 0.38
P2RY6 Q15077 1/20 0.38
P2RY14 Q15391 1/20 0.38
TTBK1 Q5TCY1 1/20 0.37
TTBK2 Q6IQ55 1/20 0.37
ACLY P53396 1/20 0.36
QPCT Q16769 2/20 0.36
AKR1C3 P42330 1/20 0.36
AKR1C2 P52895 1/20 0.36
MKNK1 Q9BUB5 1/20 0.35
MAP3K8 P41279 1/20 0.34
SLC6A3 Q01959 1/20 0.34
MEN1 O00255 1/20 0.33
ALDH1A1 P00352 1/20 0.33
PRNP P04156 1/20 0.33
MAPT P10636 1/20 0.33
HPGD P15428 1/20 0.33
HTT P42858 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL30746852 1.00 NR4A2 (0.40) NR4A2CYP3A4P2RY6P2RY14TTBK1
SCHEMBL5741696 0.89 ACLY (0.36) TTBK1TTBK2ACLYQPCTMKNK1
SCHEMBL1041938 0.89 MAPT (0.43) NR4A2ACLYMEN1MAPTKMT2A
SCHEMBL1077717 0.87 NR4A2 (0.40) NR4A2CYP3A4P2RY6P2RY14TTBK1
SCHEMBL1040015 0.86 MAP2K1 (0.46) NR4A2
SCHEMBL1077501 0.85 MAPT (0.41) NR4A2CYP3A4MEN1ALDH1A1MAPT
SCHEMBL30886595 0.84 MAP2K1 (0.47) NR4A2ACLYALDH1A1MAPTSMN1; SMN2
SCHEMBL1037390 0.84 MAP2K1 (0.47) NR4A2ACLYALDH1A1MAPTSMN1; SMN2
SCHEMBL8059115 0.82 MKNK1 (0.40) NR4A2CYP3A4P2RY6P2RY14TTBK1
SCHEMBL1040943 0.79 CYP2C9 (0.42) MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2024003942-A1 AN IMPROVED PROCESS FOR THE PREPARATION OF SELUMETINIB SULFATE NATCO PHARMA LIMITED (IN) 2024-01-04 WO disclosed
US-20230192625-A1 SUBSTITUTED BENZIMIDAZOLE COMPOUND AND COMPOSITION COMPRISING SAME SHENZHEN TARGETRX, INC. (CN) 2023-06-22 US disclosed
US-20230192625-A1 SUBSTITUTED BENZIMIDAZOLE COMPOUND AND COMPOSITION COMPRISING SAME SHENZHEN TARGETRX, INC. (CN) 2023-06-22 US disclosed
EP-3712133-A1 SUBSTITUTED BENZIMIDAZOLE COMPOUND AND COMPOSITION COMPRISING SAME Shenzhen TargetRx, Inc. (CN) 2020-09-23 EP disclosed
EP-3000810-B1 N3 ALKYLATED BENZIMIDAZOLE DERIVATIVE AS MEK INHIBITOR ARRAY BIOPHARMA INC (US) 2017-07-19 EP disclosed
US-9562017-B2 Hydrogen sulfate salt AsrtaZeneca AB (SE) 2017-02-07 US disclosed
EP-3000810-A1 N3 ALKYLATED BENZIMIDAZOLE DERIVATIVE AS MEK INHIBITOR Array Biopharma, Inc. (US) 2016-03-30 EP disclosed
US-20160024018-A1 Novel Hydrogen Sulfate Salt ALEXION PHARMA INTERNATIONAL OPERATIONS LIMITED (IE) 2016-01-28 US disclosed
US-9156795-B2 Hydrogen sulfate salt ARRAY BIOPHARMA, INC. (US) 2015-10-13 US disclosed
EP-2275102-B1 N3 alkylated benzimidazole derivatives as MEK inhibitors ARRAY BIOPHARMA INC (US) 2015-07-29 EP disclosed
WO-2007076245-A2 NOVEL HYDROGEN SULFATE SALT ARRAY BIOPHARMA INC. (US) 2007-07-05 WO disclosed
US-7235537-B2 N3 alkylated benzimidazole derivatives as MEK inhibitors ARRAY BIOPHARMA, INC. (US) 2007-06-26 US disclosed
EP-1663210-A1 N3 ALKYLATED BENZIMIDAZOLE DERIVATIVES AS MEK INHIBITORS Array Biopharma, Inc. (US) 2006-06-07 EP disclosed
EP-1482932-A4 N3 ALKYLATED BENZIMIDAZOLE DERIVATIVES AS MEK INHIBITORS ARRAY BIOPHARMA INC (US) 2006-04-05 EP disclosed
US-20050143438-A1 N3 alkylated benzimidazole derivatives as MEk inhibitors ALEXION PHARMA INTERNATIONAL OPERATIONS LIMITED (IE) 2005-06-30 US disclosed
WO-2005023251-A1 N3 ALKYLATED BENZIMIDAZOLE DERIVATIVES AS MEK INHIBITORS ARRAY BIOPHARMA INC. (US) 2005-03-17 WO disclosed
EP-1482932-A1 N3 ALKYLATED BENZIMIDAZOLE DERIVATIVES AS MEK INHIBITORS Array Biopharma, Inc. (US) 2004-12-08 EP disclosed
US-20040116710-A1 N3 alkylated benzimidazole derivatives as MEK inhibitors ASTRAZENECA AB (SE) 2004-06-17 US disclosed
US-20030232869-A1 N3 alkylated benzimidazole derivatives as MEK inhibitors ASTRAZENECA AB (SE) 2003-12-18 US disclosed
WO-2003077914-A1 N3 ALKYLATED BENZIMIDAZOLE DERIVATIVES AS MEK INHIBITORS ARRAY BIOPHARMA, INC (US) 2003-09-25 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 (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-20230192625-A1 SUBSTITUTED BENZIMIDAZOLE COMPOUND AND COMPOSITION COMPRISING SAME REN, BRAF, CDK4 NR4A2 1961/4885CYP3A4 222/4885P2RY6 1016/4885
US-20030232869-A1 N3 alkylated benzimidazole derivatives as MEK inhibitors CCNI, BRAF, CDK2 NR4A2 2705/4885CYP3A4 807/4885P2RY6 1557/4885
US-20050143438-A1 N3 alkylated benzimidazole derivatives as MEk inhibitors BRAF, CCNI, NRAS NR4A2 2733/4885CYP3A4 989/4885P2RY6 1115/4885
US-20160024018-A1 Novel Hydrogen Sulfate Salt SUDS3, SLC9A1, SLC5A1 NR4A2 3381/4885CYP3A4 3634/4885P2RY6 4535/4885

“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.