SCHEMBL10198952

SCHEMBL10198952

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
USP2 O75604 1/20 0.46
CYP3A4 P08684 1/20 0.46
THRB P10828 1/20 0.46
TYK2 P29597 2/20 0.44
SYK P43405 2/20 0.44
IRAK4 Q9NWZ3 2/20 0.44
L3MBTL1 Q9Y468 2/20 0.44
BRSK1 Q8TDC3 1/20 0.44
KDM4E B2RXH2 4/20 0.43
LMNA P02545 3/20 0.43
MAPT P10636 2/20 0.43
HTT P42858 1/20 0.43
RAB9A P51151 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
FES P07332 1/20 0.43
FER P16591 1/20 0.43
FRK P42685 1/20 0.43
CAMK1D Q8IU85 1/20 0.43
PIKFYVE Q9Y2I7 1/20 0.43
AKT1 P31749 2/20 0.38

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
SCHEMBL427061 1.00 USP2 (0.46) USP2CYP3A4THRBTYK2SYK
SCHEMBL427060 1.00 USP2 (0.46) USP2CYP3A4THRBTYK2SYK
SCHEMBL431345 0.95 TYK2 (0.46) USP2CYP3A4THRBTYK2SYK
SCHEMBL431344 0.95 TYK2 (0.46) USP2CYP3A4THRBTYK2SYK
SCHEMBL10196566 0.95 TYK2 (0.46) USP2CYP3A4THRBTYK2SYK
SCHEMBL429536 0.89 GAA (0.39) USP2CYP3A4THRBTYK2SYK
SCHEMBL10197273 0.89 GAA (0.39) USP2CYP3A4THRBTYK2SYK
SCHEMBL429537 0.89 GAA (0.39) USP2CYP3A4THRBTYK2SYK
SCHEMBL429378 0.88 L3MBTL1 (0.39) TYK2SYKIRAK4L3MBTL1BRSK1
SCHEMBL427740 0.88 GAA (0.42) TYK2SYKIRAK4L3MBTL1BRSK1

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-20180092923-A1 METHODS FOR TREATING LYSOSOMAL STORAGE DISORDERS BIOMARIN PHARMACEUTICAL INC. 2018-04-05 US disclosed
US-20180092923-A1 METHODS FOR TREATING LYSOSOMAL STORAGE DISORDERS BIOMARIN PHARMACEUTICAL INC. 2018-04-05 US disclosed
WO-2016168420-A1 METHODS FOR TREATING LYSOSOMAL STORAGE DISORDERS BIOMARIN PHARMACEUTICAL INC. (US) 2016-10-20 WO disclosed
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-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-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-20070032493-A1 Method for treating B cell regulated autoimmune disorders SYNTA PHARMACEUTICALS CORP. (US) 2007-02-08 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 USP2 3303/4885CYP3A4 2294/4885THRB 4310/4885
US-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS REL, NFATC1, BCL6 USP2 850/4885CYP3A4 4855/4885THRB 354/4885
US-20110294798-A1 IL-12 MODULATORY COMPOUNDS IL2, IL4, IL15 USP2 2713/4885CYP3A4 974/4885THRB 3054/4885
US-20090163708-A1 PROCESS FOR PREPARING MESYLATE SALTS OF IL-12 INHIBITORY COMPOUNDS IL17A, IL23R, IL2 USP2 1072/4885CYP3A4 458/4885THRB 4407/4885
US-20180092923-A1 METHODS FOR TREATING LYSOSOMAL STORAGE DISORDERS GAA, GBA1, MAN2B1 USP2 1563/4885CYP3A4 4309/4885THRB 3992/4885
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders REL, NFATC1, BCL6 USP2 850/4885CYP3A4 4855/4885THRB 354/4885

“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.