SCHEMBL5951579

SCHEMBL5951579

CC(C)(C)OC(=O)n1nc(I)c2c(Cl)cccc21

nearest known ligand 0.39

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 1/20 0.39
STS P08842 1/20 0.37
IL1B P01584 7/20 0.37
P2RX7 Q99572 6/20 0.37
RORC P51449 2/20 0.36
ALDH1A1 P00352 2/20 0.36
KDM4E B2RXH2 1/20 0.36
LMNA P02545 2/20 0.35
TSHR P16473 2/20 0.35
FAAH O00519 1/20 0.35
POLB P06746 1/20 0.35
MAPK8 P45983 1/20 0.34
NR1H2 P55055 1/20 0.33
BCHE P06276 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 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
SCHEMBL31190600 1.00 MAP2K4 (0.39) MAP2K4STSIL1BP2RX7RORC
SCHEMBL18837358 0.85 MAP2K4 (0.40) MAP2K4RORCALDH1A1KDM4EFAAH
SCHEMBL5952500 0.85 MAP2K4 (0.38) MAP2K4STSIL1BP2RX7RORC
SCHEMBL16724831 0.84 MAP2K4 (0.39) MAP2K4ALDH1A1KDM4EFAAHPOLB
SCHEMBL5951848 0.84 MAP2K4 (0.41) MAP2K4RORCALDH1A1KDM4ELMNA
SCHEMBL31190710 0.84 MAP2K4 (0.41) MAP2K4RORCALDH1A1KDM4ELMNA
SCHEMBL29953968 0.82 MAP2K4 (0.38) MAP2K4RORCALDH1A1KDM4EFAAH
SCHEMBL31190764 0.81 MAP2K4 (0.39) MAP2K4RORCALDH1A1KDM4EFAAH
SCHEMBL4562257 0.80 NOTUM (0.43) RORCLMNATSHRPOLB
SCHEMBL31190618 0.80 MET (0.38) MAP2K4ALDH1A1KDM4ELMNAPOLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20250333406-A1 SULFONYL CYCLIC DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF LYSOWAY THERAPEUTICS INC (US) 2025-10-30 US disclosed
US-11370770-B2 3-arylindazoles as selective MEK4 inhibitors NORTHWESTERN UNIVERSITY (US) 2022-06-28 US disclosed
US-11370770-B2 3-arylindazoles as selective MEK4 inhibitors NORTHWESTERN UNIVERSITY (US) 2022-06-28 US disclosed
US-20200399241-A1 3-ARYLINDAZOLES AS SELECTIVE MEK4 INHIBITORS NORTHWESTERN UNIVERSITY (US) 2020-12-24 US disclosed
US-20200399241-A1 3-ARYLINDAZOLES AS SELECTIVE MEK4 INHIBITORS NORTHWESTERN UNIVERSITY (US) 2020-12-24 US disclosed
US-8288425-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2012-10-16 US disclosed
US-8288425-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2012-10-16 US disclosed
US-20060014756-A1 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2006-01-19 US disclosed
US-6897208-B2 Benzimidazoles AVENTIS PHARMACEUTICALS INC. (US) 2005-05-24 US disclosed
EP-1441725-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS Aventis Pharmaceuticals Inc. (US) 2004-08-04 EP disclosed
US-20040048868-A1 Benzimidazoles AVENTISUB LLC 2004-03-11 US disclosed
WO-2003035065-A1 BENZIMIDAZOLES AND ANALOGUES AND THEIR USE AS PROTEIN KINASES INHIBITORS AVENTIS PHARMACEUTICALS INC (US) 2003-05-01 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 (5 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-20060014756-A1 Benzimidazoles CDK9, BMX, SBK3 MAP2K4 252/4885STS 870/4885IL1B 3829/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A MAP2K4 376/4885STS 932/4885IL1B 2925/4885
US-20200399241-A1 3-ARYLINDAZOLES AS SELECTIVE MEK4 INHIBITORS MAP4K3, MAPK4, MAP3K4 MAP2K4 39/4885STS 3737/4885IL1B 4622/4885
US-11370770-B2 3-arylindazoles as selective MEK4 inhibitors MAP4K3, MAPK4, MAP3K4 MAP2K4 39/4885STS 3737/4885IL1B 4622/4885
US-20250333406-A1 SULFONYL CYCLIC DERIVATIVES, AND COMPOSITIONS AND METHODS THEREOF STOML2, ATP2A3, ATP2A1 MAP2K4 4180/4885STS 491/4885IL1B 2555/4885

“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.