SCHEMBL426838

SCHEMBL426838

Cc1ccc(NC(=O)Nc2cc(OCCN3CCOCC3)nc(N3CCOCC3)n2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 7/20 0.56
PIK3CA P42336 4/20 0.56
PIK3CG P48736 4/20 0.56
MAPK14 Q16539 2/20 0.53
MAPK13 O15264 1/20 0.53
MAPK9 P45984 1/20 0.53
MAPK12 P53778 1/20 0.53
MAPK11 Q15759 1/20 0.53
SMN1; SMN2 Q16637 1/20 0.50
LMNA P02545 2/20 0.47
MAPT P10636 1/20 0.47
HTR2A P28223 3/20 0.47
HTR2C P28335 3/20 0.47
GAA P10253 1/20 0.47
EPHX2 P34913 2/20 0.46
BRAF P15056 1/20 0.46
AURKA O14965 1/20 0.46
KDR P35968 1/20 0.46
FLT3 P36888 1/20 0.46
KDM4E B2RXH2 1/20 0.46

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
SCHEMBL3111685 0.92 MTOR (0.49) MTORPIK3CAPIK3CGMAPK14HTR2A
SCHEMBL430172 0.91 EPHX2 (0.57) MTORPIK3CAPIK3CGMAPK14SMN1; SMN2
SCHEMBL428867 0.91 CYP3A4 (0.56) MTORPIK3CAPIK3CGSMN1; SMN2LMNA
SCHEMBL428259 0.90 TSHR (0.52) PIK3CAPIK3CGMAPTHTR2AHTR2C
SCHEMBL3118611 0.87 MEN1 (0.49) MTORPIK3CAPIK3CGMAPK14MAPK13
SCHEMBL3115513 0.87 HSD17B10 (0.43) MTORPIK3CAPIK3CGMAPK14LMNA
SCHEMBL14530476 0.86 HRH3 (0.55) MTORPIK3CAPIK3CGMAPK14SMN1; SMN2
SCHEMBL13759250 0.86 ALDH1A1 (0.57) MTORPIK3CAPIK3CGSMN1; SMN2MAPT
SCHEMBL14530054 0.86 KDR (0.52) SMN1; SMN2HTR2AHTR2CEPHX2BRAF
SCHEMBL3103094 0.85 LMNA (0.51) MTORPIK3CAPIK3CGSMN1; SMN2LMNA

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 26 patents — showing the first 20. 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-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-8236795-B2 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2012-08-07 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-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-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-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
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 MTOR 578/4885PIK3CA 2810/4885PIK3CG 1280/4885
US-20110098267-A1 TOPICAL FORMULATIONS FOR THE TREATMENT OF PSORIASIS IL17A, IL23R, IL15 MTOR 3123/4885PIK3CA 2168/4885PIK3CG 2425/4885
US-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS REL, NFATC1, BCL6 MTOR 3130/4885PIK3CA 4463/4885PIK3CG 3944/4885
US-20090163708-A1 PROCESS FOR PREPARING MESYLATE SALTS OF IL-12 INHIBITORY COMPOUNDS IL17A, IL23R, IL2 MTOR 2559/4885PIK3CA 2128/4885PIK3CG 1703/4885
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders REL, NFATC1, BCL6 MTOR 3130/4885PIK3CA 4463/4885PIK3CG 3944/4885
US-20100256132-A1 IL-12 MODULATORY COMPOUNDS IL2, IL4, IFNG MTOR 578/4885PIK3CA 2810/4885PIK3CG 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.