SCHEMBL6178470

SCHEMBL6178470

COCCCN(C)c1ccc(-c2ccc(NC(=O)Nc3cc(C(C)(C)C)nn3-c3ccc(C)cc3)c3ccccc23)cn1

nearest known ligand 0.62

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.62
RAF1 P04049 2/20 0.62
LYN P07948 2/20 0.62
SRC P12931 2/20 0.62
MAPK9 P45984 2/20 0.62
MAPK14 Q16539 13/20 0.57
MAPK12 P53778 10/20 0.57
HCK P08631 8/20 0.55
TNF P01375 4/20 0.55
MAPK13 O15264 2/20 0.54
MAPK11 Q15759 2/20 0.54
DDR2 Q16832 2/20 0.54
CIT O14578 1/20 0.53
MUSK O15146 1/20 0.53
MAP3K7 O43318 1/20 0.53
RIPK2 O43353 1/20 0.53
STK10 O94804 1/20 0.53
MAP4K4 O95819 1/20 0.53
CHEK2 O96017 1/20 0.53
EGFR P00533 1/20 0.53

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
SCHEMBL4092132 0.94 MAPK14 (0.56) ABL1RAF1LYNSRCMAPK9
SCHEMBL6772136 0.85 SRC (0.61) ABL1RAF1LYNSRCMAPK9
SCHEMBL4092797 0.81 MAPK14 (0.50) ABL1RAF1LYNSRCMAPK9
SCHEMBL29594554 0.81 MAPK14 (0.72) ABL1RAF1LYNSRCMAPK9
SCHEMBL296321 0.81 MAPK14 (0.72) ABL1RAF1LYNSRCMAPK9
SCHEMBL4088544 0.80 MAPK14 (0.60) ABL1RAF1LYNSRCMAPK9
SCHEMBL4092173 0.80 ABL1 (0.59) ABL1RAF1LYNSRCMAPK9
SCHEMBL4086703 0.80 MAPK14 (0.66) ABL1RAF1LYNSRCMAPK9
SCHEMBL4093059 0.79 MAPK14 (0.57) ABL1RAF1LYNSRCMAPK9
SCHEMBL4087767 0.79 MAPK14 (0.57) ABL1RAF1LYNSRCMAPK9

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
EP-1200411-B1 PROCESS FOR SYNTHESIS OF HETEROARYL-SUBSTITUTED UREA COMPOUNDS BOEHRINGER INGELHEIM PHARMA (US) 2005-12-14 EP disclosed
US-6894173-B2 Intermediates useful for synthesis of heteroaryl-substituted urea compounds, and processes of making same BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2005-05-17 US disclosed
US-6835832-B2 Catalytic hydrogenation BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-12-28 US disclosed
US-6774233-B2 AUTOIMMUNE DISEASE BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-08-10 US disclosed
US-6753426-B2 ANTIINFLAMMATORY AGENTS; AUTOIMMUNE DISEASE BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2004-06-22 US disclosed
US-20030181718-A1 A chemical intermediate carbamate compounds BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-09-25 US disclosed
US-20030166930-A1 Process for synthesis of heteroaryl-substituted urea compounds useful as antiinflammatory agents BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2003-09-04 US disclosed
US-20030166931-A1 Process for synthesis of heteroaryl-substituted urea compounds useful as antiinflammatory agents BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2003-09-04 US disclosed
US-6583282-B1 Formation of a urea by reacting an aromatic carbamate with a aromatic amine BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. 2003-06-24 US disclosed
US-20030109703-A1 Polymorph and process for preparing same BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2003-06-12 US disclosed
EP-1200411-A2 NOVEL PROCESS FOR SYNTHESIS OF HETEROARYL-SUBSTITUTED UREA COMPOUNDS BOEHRINGER INGELHEIM PHARMACEUTICALS INC. (US) 2002-05-02 EP disclosed
WO-2001004115-A2 NOVEL PROCESS FOR SYNTHESIS OF HETEROARYL-SUBSTITUTED UREA COMPOUNDS BOEHRINGER INGELHEIM PHARMACEUTICALS, INC. (US) 2001-01-18 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-20030181718-A1 A chemical intermediate carbamate compounds UGT1A1, ARG1, CPS1 ABL1 1297/4885RAF1 1178/4885LYN 3555/4885
US-20030166931-A1 Process for synthesis of heteroaryl-substituted urea compounds useful as antiinflammatory agents URB2, UGT1A1, PURB ABL1 2055/4885RAF1 1359/4885LYN 2882/4885
US-20030109703-A1 Polymorph and process for preparing same UGT1A1, CYP1A1, CYP1B1 ABL1 1839/4885RAF1 1377/4885LYN 3775/4885
US-20030166930-A1 Process for synthesis of heteroaryl-substituted urea compounds useful as antiinflammatory agents URB2, UGT1A1, PURB ABL1 2055/4885RAF1 1359/4885LYN 2882/4885

“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.