SCHEMBL424929

SCHEMBL424929

Cc1ccc(N(S)C(=O)Nc2cc(N3CCOCC3)nc(OCCN3CCOCC3)n2)c(Br)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CASR P41180 1/20 0.41
TYK2 P29597 2/20 0.39
SYK P43405 2/20 0.39
IRAK4 Q9NWZ3 2/20 0.39
FES P07332 1/20 0.39
FER P16591 1/20 0.39
FRK P42685 1/20 0.39
CAMK1D Q8IU85 1/20 0.39
PIKFYVE Q9Y2I7 1/20 0.39
BRSK1 Q8TDC3 1/20 0.38
AKT1 P31749 2/20 0.37
POLB P06746 2/20 0.37
CRHR1 P34998 1/20 0.37
JAK1 P23458 1/20 0.36
MAPK14 Q16539 2/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
PIK3CA P42336 1/20 0.36
MAPK13 O15264 1/20 0.36
MAPK9 P45984 1/20 0.36
MAPK12 P53778 1/20 0.36

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
SCHEMBL424928 0.80 SYK (0.41) TYK2SYKIRAK4FESFER
SCHEMBL16844671 0.79 MAPK14 (0.53) MAPK14PIK3CAMAPK13MAPK9MAPK12
SCHEMBL430177 0.75 RECQL (0.51) TYK2SYKIRAK4BRSK1MAPK14
SCHEMBL3117380 0.74 LMNA (0.47) POLBMAPK14
SCHEMBL16844672 0.73 ALDH1A1 (0.44) TYK2SYKIRAK4FESFER
SCHEMBL3111922 0.73 AKT1 (0.52) AKT1PIK3CA
SCHEMBL11929838 0.71 KMT2A (0.55) SYKPOLBKMT2A
SCHEMBL2073676 0.70 SYK (0.64) TYK2SYKIRAK4FESFER
SCHEMBL3108508 0.70 EPHX2 (0.50) TYK2SYKIRAK4BRSK1MAPK14
SCHEMBL3106397 0.70 MEN1 (0.54) MAPK14MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8236795-B2 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2012-08-07 US claimed
US-20100256132-A1 IL-12 MODULATORY COMPOUNDS SYNTA PHARMACEUTICALS CORPORATION (US) 2010-10-07 US claimed
EP-1819341-A2 IL-12 MODULATORY COMPOUNDS Synta Pharmaceuticals Corporation (US) 2007-08-22 EP claimed
US-20060223996-A1 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2006-10-05 US claimed
WO-2006053227-A2 IL-12 MODULATORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2006-05-18 WO claimed
US-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS SYNTA PHARMACEUTICALS CORP (US) 2015-06-25 US disclosed
US-8236795-B2 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2012-08-07 US disclosed
US-20120021434-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS SYNTA PHARMACEUTICALS CORP. (US) 2012-01-26 US disclosed
US-20110098267-A1 TOPICAL FORMULATIONS FOR THE TREATMENT OF PSORIASIS SYNTA PHARMACEUTICALS CORPORATION (US) 2011-04-28 US disclosed
US-20100256132-A1 IL-12 MODULATORY COMPOUNDS SYNTA PHARMACEUTICALS CORPORATION (US) 2010-10-07 US disclosed
US-7696202-B2 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2010-04-13 US disclosed
US-20090163708-A1 PROCESS FOR PREPARING MESYLATE SALTS OF IL-12 INHIBITORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2009-06-25 US disclosed
EP-1819341-A2 IL-12 MODULATORY COMPOUNDS Synta Pharmaceuticals Corporation (US) 2007-08-22 EP disclosed
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders SYNTA PHARMACEUTICALS CORP. (US) 2007-02-08 US disclosed
US-20060223996-A1 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2006-10-05 US disclosed
WO-2006053227-A2 IL-12 MODULATORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2006-05-18 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 (6 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-20060223996-A1 IL-12 modulatory compounds IL2, IL4, IFNG CASR 2982/4885TYK2 1186/4885SYK 1075/4885
US-20110098267-A1 TOPICAL FORMULATIONS FOR THE TREATMENT OF PSORIASIS IL17A, IL23R, IL15 CASR 4443/4885TYK2 826/4885SYK 1106/4885
US-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS REL, NFATC1, BCL6 CASR 2524/4885TYK2 2464/4885SYK 737/4885
US-20090163708-A1 PROCESS FOR PREPARING MESYLATE SALTS OF IL-12 INHIBITORY COMPOUNDS IL17A, IL23R, IL2 CASR 3798/4885TYK2 1275/4885SYK 550/4885
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders REL, NFATC1, BCL6 CASR 2524/4885TYK2 2464/4885SYK 737/4885
US-20100256132-A1 IL-12 MODULATORY COMPOUNDS IL2, IL4, IFNG CASR 2982/4885TYK2 1186/4885SYK 1075/4885

“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.