SCHEMBL431344

SCHEMBL431344

c1ccc2c(c1)CC/C2=N/Nc1cc(N2CCOCC2)nc(OCCN2CCOCC2)n1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 2/20 0.46
SYK P43405 2/20 0.46
IRAK4 Q9NWZ3 2/20 0.46
BRSK1 Q8TDC3 1/20 0.46
FES P07332 1/20 0.44
FER P16591 1/20 0.44
FRK P42685 1/20 0.44
CAMK1D Q8IU85 1/20 0.44
PIKFYVE Q9Y2I7 1/20 0.44
USP2 O75604 1/20 0.41
CYP3A4 P08684 1/20 0.41
THRB P10828 1/20 0.41
KDM4E B2RXH2 4/20 0.39
LMNA P02545 3/20 0.39
MAPT P10636 2/20 0.39
HTT P42858 1/20 0.39
RAB9A P51151 1/20 0.39
NPSR1 Q6W5P4 1/20 0.39
L3MBTL1 Q9Y468 2/20 0.37
AKT1 P31749 2/20 0.37

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
SCHEMBL431345 1.00 TYK2 (0.46) TYK2SYKIRAK4BRSK1FES
SCHEMBL10196566 1.00 TYK2 (0.46) TYK2SYKIRAK4BRSK1FES
SCHEMBL427060 0.95 USP2 (0.46) TYK2SYKIRAK4BRSK1FES
SCHEMBL427061 0.95 USP2 (0.46) TYK2SYKIRAK4BRSK1FES
SCHEMBL10198952 0.95 USP2 (0.46) TYK2SYKIRAK4BRSK1FES
SCHEMBL424611 0.89 SYK (0.46) TYK2SYKIRAK4BRSK1FES
SCHEMBL424198 0.89 MAPK14 (0.43) TYK2SYKIRAK4BRSK1FES
SCHEMBL424612 0.89 SYK (0.46) TYK2SYKIRAK4BRSK1FES
SCHEMBL10198826 0.89 MAPK14 (0.43) TYK2SYKIRAK4BRSK1FES
SCHEMBL10197263 0.89 SYK (0.46) TYK2SYKIRAK4BRSK1FES

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8263764-B2 IL-12 Modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2012-09-11 US claimed
US-20110294798-A1 IL-12 MODULATORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2011-12-01 US claimed
US-7863270-B2 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2011-01-04 US claimed
US-20060281711-A1 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2006-12-14 US claimed
WO-2006124662-A1 IL-12 MODULATORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2006-11-23 WO claimed
US-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS SYNTA PHARMACEUTICALS CORP (US) 2015-06-25 US disclosed
US-8263764-B2 IL-12 Modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2012-09-11 US disclosed
US-20120021434-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS SYNTA PHARMACEUTICALS CORP. (US) 2012-01-26 US disclosed
US-20110294798-A1 IL-12 MODULATORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2011-12-01 US disclosed
US-20110098267-A1 TOPICAL FORMULATIONS FOR THE TREATMENT OF PSORIASIS SYNTA PHARMACEUTICALS CORPORATION (US) 2011-04-28 US disclosed
US-7863270-B2 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2011-01-04 US disclosed
US-20090163708-A1 PROCESS FOR PREPARING MESYLATE SALTS OF IL-12 INHIBITORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2009-06-25 US disclosed
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders SYNTA PHARMACEUTICALS CORP. (US) 2007-02-08 US disclosed
US-20060281711-A1 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2006-12-14 US 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-20110098267-A1 TOPICAL FORMULATIONS FOR THE TREATMENT OF PSORIASIS IL17A, IL23R, IL15 TYK2 826/4885SYK 1106/4885IRAK4 381/4885
US-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS REL, NFATC1, BCL6 TYK2 2464/4885SYK 737/4885IRAK4 660/4885
US-20060281711-A1 IL-12 modulatory compounds IL2, IL4, IL15 TYK2 1810/4885SYK 1254/4885IRAK4 86/4885
US-20110294798-A1 IL-12 MODULATORY COMPOUNDS IL2, IL4, IL15 TYK2 1810/4885SYK 1254/4885IRAK4 86/4885
US-20090163708-A1 PROCESS FOR PREPARING MESYLATE SALTS OF IL-12 INHIBITORY COMPOUNDS IL17A, IL23R, IL2 TYK2 1275/4885SYK 550/4885IRAK4 120/4885
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders REL, NFATC1, BCL6 TYK2 2464/4885SYK 737/4885IRAK4 660/4885

“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.