SCHEMBL6772136

SCHEMBL6772136

COCCCCNc1ccc(-c2ccc(NC(=O)Nc3cc(C(C)(C)C)nn3-c3ccc(C)cc3)c3ccccc23)cn1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SRC P12931 4/20 0.61
ABL1 P00519 2/20 0.61
RAF1 P04049 2/20 0.61
LYN P07948 2/20 0.61
MAPK9 P45984 2/20 0.61
MAPK14 Q16539 14/20 0.57
MAPK12 P53778 11/20 0.56
HCK P08631 9/20 0.56
TNF P01375 3/20 0.56
GSK3B P49841 2/20 0.55
SYK P43405 1/20 0.55
GSK3A P49840 1/20 0.55
MAPK13 O15264 2/20 0.55
MAPK11 Q15759 2/20 0.55
DDR2 Q16832 2/20 0.55
CIT O14578 1/20 0.54
MUSK O15146 1/20 0.54
MAP3K7 O43318 1/20 0.54
RIPK2 O43353 1/20 0.54
STK10 O94804 1/20 0.54

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
SCHEMBL4087767 0.91 MAPK14 (0.57) SRCABL1RAF1LYNMAPK9
SCHEMBL4086637 0.85 MAPK9 (0.56) SRCABL1RAF1LYNMAPK9
SCHEMBL6178470 0.85 ABL1 (0.62) SRCABL1RAF1LYNMAPK9
SCHEMBL4088544 0.82 MAPK14 (0.60) SRCABL1RAF1LYNMAPK9
SCHEMBL5732031 0.80 MAPK14 (0.49) SRCABL1RAF1LYNMAPK9
SCHEMBL4091834 0.80 MAPK14 (0.62) SRCABL1RAF1LYNMAPK9
SCHEMBL4092182 0.79 MAPK14 (0.56) SRCABL1RAF1LYNMAPK9
SCHEMBL19731981 0.79 MAPK14 (0.81) SRCMAPK14MAPK12HCKGSK3B
SCHEMBL4092132 0.79 MAPK14 (0.56) SRCABL1RAF1LYNMAPK9
SCHEMBL4086255 0.78 SRC (0.61) SRCABL1RAF1LYNMAPK9

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-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-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 (3 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-20030166931-A1 Process for synthesis of heteroaryl-substituted urea compounds useful as antiinflammatory agents URB2, UGT1A1, PURB SRC 2318/4885ABL1 2055/4885RAF1 1359/4885
US-20030109703-A1 Polymorph and process for preparing same UGT1A1, CYP1A1, CYP1B1 SRC 1962/4885ABL1 1839/4885RAF1 1377/4885
US-20030166930-A1 Process for synthesis of heteroaryl-substituted urea compounds useful as antiinflammatory agents URB2, UGT1A1, PURB SRC 2318/4885ABL1 2055/4885RAF1 1359/4885

“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.