SCHEMBL6330722

SCHEMBL6330722

CC(C)(C)c1cc(NC(=O)Nc2ccc(OCCN3CCOCC3)c3ccccc23)n(-c2ccccc2)n1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPK14 Q16539 10/20 1.00
TNF P01375 6/20 1.00
MAPK13 O15264 2/20 1.00
MAPK12 P53778 2/20 1.00
MAPK11 Q15759 2/20 1.00
DDR2 Q16832 4/20 0.91
CIT O14578 1/20 0.91
MUSK O15146 1/20 0.91
MAP3K7 O43318 1/20 0.91
RIPK2 O43353 1/20 0.91
STK10 O94804 1/20 0.91
MAP4K4 O95819 1/20 0.91
CHEK2 O96017 1/20 0.91
ABL1 P00519 1/20 0.91
EGFR P00533 1/20 0.91
RAF1 P04049 1/20 0.91
NTRK1 P04629 1/20 0.91
HSPB1 P04792 1/20 0.91
PRKCB P05771 1/20 0.91
LCK P06239 1/20 0.91

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
Doramapimod SCHEMBL129721 0.95 MAPK14 (1.00) MAPK14TNFMAPK13MAPK12MAPK11
Doramapimod SCHEMBL29353023 0.95 MAPK14 (1.00) MAPK14TNFMAPK13MAPK12MAPK11
SCHEMBL5967531 0.95 MAPK14 (0.90) MAPK14TNFMAPK13MAPK12MAPK11
Doramapimod SCHEMBL10320344 0.95 MAPK14 (0.98) MAPK14TNFMAPK13MAPK12MAPK11
SCHEMBL295792 0.94 MAPK14 (0.89) MAPK14TNFMAPK13MAPK12MAPK11
SCHEMBL29594033 0.94 MAPK14 (0.89) MAPK14TNFMAPK13MAPK12MAPK11
SCHEMBL13857350 0.94 MAPK14 (0.89) MAPK14TNFMAPK13MAPK12MAPK11
SCHEMBL5967529 0.93 MAPK14 (0.87) MAPK14TNFMAPK13MAPK12MAPK11
SCHEMBL295374 0.93 MAPK14 (0.86) MAPK14TNFMAPK13MAPK12MAPK11
SCHEMBL29594426 0.93 MAPK14 (0.86) MAPK14TNFMAPK13MAPK12MAPK11

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240024490-A1 BIFUNCTIONAL MOLECULES FOR SELECTIVE MODIFICATION OF TARGET SUBSTRATES THE BROAD INSTITUTE, INC. 2024-01-25 US disclosed
US-20230192904-A1 BIFUNCTIONAL CHIMERIC MOLECULES FOR LABELING OF KINASES WITH TARGET BINDING MOIETIES AND METHODS OF USE THEREOF THE BROAD INSTITUTE, INC. 2023-06-22 US disclosed
WO-2022225728-A2 BIFUNCTIONAL MOLECULES FOR SELECTIVE MODIFICATION OF TARGET SUBSTRATES THE BROAD INSTITUTE, INC. (US) 2022-10-27 WO disclosed
US-11123349-B2 Method of treatment THE UNIVERSITY OF MELBOURNE (AU) 2021-09-21 US disclosed
US-20200061074-A1 METHOD OF TREATMENT THE UNIVERSITY OF MELBOURNE (AU) 2020-02-27 US disclosed
US-6916924-B2 Process for synthesis of heteroaryl-substituted urea compounds useful as antiinflammatory agents BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-07-12 US disclosed
EP-1362037-A1 PROCESS FOR SYNTHESIS OF HETEROARYL-SUBSTITUTED UREA COMPOUNDS USEFUL AS ANTIINFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2003-11-19 EP disclosed
US-20020123631-A1 Process for synthesis of heteroaryl-substituted urea compounds useful as antiinflammatory agents BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2002-09-05 US disclosed
WO-2002066442-A1 PROCESS FOR SYNTHESIS OF HETEROARYL-SUBSTITUTED UREA COMPOUNDS USEFUL AS ANTIINFLAMMATORY AGENTS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2002-08-29 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-11123349-B2 Method of treatment TNF, IL1B, IL1A MAPK14 3859/4885TNF 1/4885MAPK13 3789/4885
US-20240024490-A1 BIFUNCTIONAL MOLECULES FOR SELECTIVE MODIFICATION OF TARGET SUBSTRATES COASY, JMJD7, PTMS MAPK14 2739/4885TNF 4725/4885MAPK13 2417/4885
US-20230192904-A1 BIFUNCTIONAL CHIMERIC MOLECULES FOR LABELING OF KINASES WITH TARGET BINDING MOIETIES AND METHODS OF USE THEREOF ERBB2, ACP1, TK1 MAPK14 594/4885TNF 4704/4885MAPK13 456/4885
US-20200061074-A1 METHOD OF TREATMENT TNF, IL1B, IL1A MAPK14 3859/4885TNF 1/4885MAPK13 3789/4885
US-20020123631-A1 Process for synthesis of heteroaryl-substituted urea compounds useful as antiinflammatory agents URB2, UTS2R, UACA MAPK14 3928/4885TNF 250/4885MAPK13 4164/4885

“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.