SCHEMBL5952500

SCHEMBL5952500

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

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAP2K4 P45985 1/20 0.38
POLB P06746 2/20 0.36
STS P08842 1/20 0.36
IL1B P01584 7/20 0.36
P2RX7 Q99572 6/20 0.36
RORC P51449 1/20 0.35
FAAH O00519 1/20 0.34
MAPK1 P28482 1/20 0.33
ATM Q13315 1/20 0.33
XPO1 O14980 1/20 0.33
ALDH1A1 P00352 3/20 0.32
LMNA P02545 1/20 0.32
TSHR P16473 1/20 0.32
NR1H2 P55055 1/20 0.32
HSP90AA1 P07900 1/20 0.32
HSP90AB1 P08238 1/20 0.32
KDM4E B2RXH2 1/20 0.32
GLA P06280 1/20 0.32
GAA P10253 1/20 0.32
HPGD P15428 1/20 0.32

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
SCHEMBL5951579 0.85 MAP2K4 (0.39) MAP2K4POLBSTSIL1BP2RX7
SCHEMBL31190600 0.85 MAP2K4 (0.39) MAP2K4POLBSTSIL1BP2RX7
SCHEMBL5952909 0.84 IL1B (0.35) MAP2K4STSIL1BP2RX7XPO1
SCHEMBL5952907 0.84 IL1B (0.35) MAP2K4STSIL1BP2RX7XPO1
SCHEMBL3610439 0.81 MAP2K4 (0.36) MAP2K4POLBALDH1A1LMNA
SCHEMBL15902469 0.79 MAP2K4 (0.43) MAP2K4ALDH1A1NR1H2KDM4EGAA
SCHEMBL29443983 0.79 MAP2K4 (0.43) MAP2K4ALDH1A1NR1H2KDM4EGAA
SCHEMBL29953968 0.78 MAP2K4 (0.38) MAP2K4POLBRORCFAAHALDH1A1
SCHEMBL22801830 0.75 MAP2K4 (0.43) MAP2K4IL1BP2RX7RORCNR1H2
SCHEMBL3607147 0.74 MAP2K4 (0.41) MAP2K4POLBSTSFAAHALDH1A1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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 (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-20060014756-A1 Benzimidazoles CDK9, BMX, SBK3 MAP2K4 252/4885POLB 2261/4885STS 870/4885
US-20040048868-A1 Benzimidazoles CDK9, BMX, CDKN1A MAP2K4 376/4885POLB 2841/4885STS 932/4885

“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.