SCHEMBL426413

SCHEMBL426413

O=C(Nc1cccc2ccccc12)c1cc(OCCc2ccccn2)nc(N2CCOCC2)n1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 4/20 0.47
PIK3CB P42338 3/20 0.47
PIK3CG P48736 3/20 0.47
KMT2A Q03164 3/20 0.45
KDM4E B2RXH2 3/20 0.45
TYK2 P29597 2/20 0.45
SYK P43405 2/20 0.45
IRAK4 Q9NWZ3 2/20 0.45
MEN1 O00255 2/20 0.45
USP2 O75604 1/20 0.45
BRSK1 Q8TDC3 1/20 0.45
ALDH1A1 P00352 2/20 0.42
TSHR P16473 1/20 0.42
HSD17B10 Q99714 1/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
POLB P06746 1/20 0.42
SCN9A Q15858 2/20 0.41
BACE1 P56817 1/20 0.41
FES P07332 1/20 0.41
FER P16591 1/20 0.41

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
SCHEMBL424642 0.93 PIK3CA (0.45) PIK3CAPIK3CBPIK3CGKMT2AKDM4E
SCHEMBL426412 0.86 PIK3CA (0.45) PIK3CAPIK3CBPIK3CGKMT2ATYK2
SCHEMBL425757 0.84 PIK3CA (0.46) PIK3CAPIK3CBPIK3CGTYK2SYK
SCHEMBL428720 0.84 TYK2 (0.49) PIK3CAPIK3CBPIK3CGKMT2AKDM4E
SCHEMBL5483800 0.84 PIK3CA (0.47) PIK3CAPIK3CBPIK3CGKDM4ETYK2
SCHEMBL427044 0.84 PIK3CA (0.44) PIK3CAPIK3CBPIK3CGKMT2ATYK2
SCHEMBL3117453 0.83 PIK3CA (0.52) PIK3CAPIK3CBPIK3CGKDM4ETYK2
SCHEMBL431043 0.83 TYK2 (0.48) PIK3CAPIK3CBPIK3CGKMT2ATYK2
SCHEMBL3109308 0.82 HTT (0.53) PIK3CAPIK3CBPIK3CGKDM4ETYK2
SCHEMBL425547 0.81 LRRK2 (0.51) PIK3CAPIK3CBPIK3CGKMT2AKDM4E

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 13 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
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

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 PIK3CA 2810/4885PIK3CB 1142/4885PIK3CG 1280/4885
US-20110098267-A1 TOPICAL FORMULATIONS FOR THE TREATMENT OF PSORIASIS IL17A, IL23R, IL15 PIK3CA 2168/4885PIK3CB 2249/4885PIK3CG 2425/4885
US-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS REL, NFATC1, BCL6 PIK3CA 4463/4885PIK3CB 2892/4885PIK3CG 3944/4885
US-20090163708-A1 PROCESS FOR PREPARING MESYLATE SALTS OF IL-12 INHIBITORY COMPOUNDS IL17A, IL23R, IL2 PIK3CA 2128/4885PIK3CB 2321/4885PIK3CG 1703/4885
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders REL, NFATC1, BCL6 PIK3CA 4463/4885PIK3CB 2892/4885PIK3CG 3944/4885
US-20100256132-A1 IL-12 MODULATORY COMPOUNDS IL2, IL4, IFNG PIK3CA 2810/4885PIK3CB 1142/4885PIK3CG 1280/4885

“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.