SCHEMBL425547

SCHEMBL425547

O=C(Nc1nc2ccccc2s1)c1cc(OCCc2ccccn2)nc(N2CCOCC2)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
LRRK2 Q5S007 5/20 0.51
HCAR1 Q9BXC0 2/20 0.51
HCAR2 Q8TDS4 1/20 0.51
RAB9A P51151 6/20 0.46
NPC1 O15118 5/20 0.46
SMN1; SMN2 Q16637 2/20 0.46
PIK3CA P42336 2/20 0.45
PIK3CB P42338 1/20 0.45
PIK3CG P48736 1/20 0.45
KMT2A Q03164 3/20 0.43
NPSR1 Q6W5P4 2/20 0.43
KDM4E B2RXH2 2/20 0.43
MEN1 O00255 2/20 0.43
ALDH1A1 P00352 2/20 0.43
HSD17B10 Q99714 1/20 0.43
TYK2 P29597 1/20 0.43
SYK P43405 1/20 0.43
BRSK1 Q8TDC3 1/20 0.43
IRAK4 Q9NWZ3 1/20 0.43
HTT P42858 3/20 0.42

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
SCHEMBL427852 0.92 MAPT (0.54) LRRK2HCAR1HCAR2RAB9ANPC1
SCHEMBL424642 0.82 PIK3CA (0.45) SMN1; SMN2PIK3CAPIK3CBPIK3CGKMT2A
SCHEMBL425546 0.82 PIK3CA (0.41) RAB9ANPC1PIK3CAPIK3CBPIK3CG
SCHEMBL5483800 0.82 PIK3CA (0.47) RAB9ANPC1SMN1; SMN2PIK3CAPIK3CB
SCHEMBL426412 0.82 PIK3CA (0.45) RAB9ANPC1PIK3CAPIK3CBPIK3CG
SCHEMBL427044 0.82 PIK3CA (0.44) RAB9ANPC1PIK3CAPIK3CBPIK3CG
SCHEMBL426413 0.81 PIK3CA (0.47) SMN1; SMN2PIK3CAPIK3CBPIK3CGKMT2A
SCHEMBL3117453 0.81 PIK3CA (0.52) PIK3CAPIK3CBPIK3CGNPSR1KDM4E
SCHEMBL431043 0.81 TYK2 (0.48) RAB9ANPC1SMN1; SMN2PIK3CAPIK3CB
SCHEMBL425757 0.81 PIK3CA (0.46) RAB9ASMN1; SMN2PIK3CAPIK3CBPIK3CG

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 15 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
US-7696202-B2 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2010-04-13 US claimed
US-20060223996-A1 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2006-10-05 US 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 LRRK2 3721/4885HCAR1 233/4885HCAR2 164/4885
US-20110098267-A1 TOPICAL FORMULATIONS FOR THE TREATMENT OF PSORIASIS IL17A, IL23R, IL15 LRRK2 4718/4885HCAR1 983/4885HCAR2 633/4885
US-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS REL, NFATC1, BCL6 LRRK2 3550/4885HCAR1 1419/4885HCAR2 1556/4885
US-20090163708-A1 PROCESS FOR PREPARING MESYLATE SALTS OF IL-12 INHIBITORY COMPOUNDS IL17A, IL23R, IL2 LRRK2 4272/4885HCAR1 2379/4885HCAR2 2189/4885
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders REL, NFATC1, BCL6 LRRK2 3550/4885HCAR1 1419/4885HCAR2 1556/4885
US-20100256132-A1 IL-12 MODULATORY COMPOUNDS IL2, IL4, IFNG LRRK2 3721/4885HCAR1 233/4885HCAR2 164/4885

“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.