SCHEMBL428830

SCHEMBL428830

Cc1[nH]c2ccc(NC(=O)c3cc(OCCN4CCCCC4)nc(N4CCOCC4)n3)cc2c1C

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.44
GRM4 Q14833 1/20 0.42
AKT1 P31749 2/20 0.42
TERT O14746 3/20 0.41
P2RY12 Q9H244 3/20 0.40
MAPK14 Q16539 2/20 0.40
PIK3CA P42336 1/20 0.40
MTOR P42345 1/20 0.40
PIK3CG P48736 1/20 0.40
BRAF P15056 3/20 0.40
PIR O00625 1/20 0.40
GSK3B P49841 1/20 0.40
HSF1 Q00613 1/20 0.40
KDM4E B2RXH2 1/20 0.40
ALDH1A1 P00352 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
RAF1 P04049 2/20 0.39

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
SCHEMBL426551 0.96 GRM4 (0.46) KMT2AGRM4TERTBRAFKDM4E
SCHEMBL3121188 0.93 P2RY12 (0.42) KMT2AGRM4P2RY12BRAFKDM4E
SCHEMBL11926391 0.90 RAF1 (0.48) KMT2ABRAFKDM4EALDH1A1L3MBTL1
SCHEMBL11926386 0.90 ALDH1A1 (0.42) KMT2AAKT1PIK3CABRAFKDM4E
SCHEMBL11926362 0.90 ALDH1A1 (0.42) KMT2ABRAFKDM4EALDH1A1L3MBTL1
SCHEMBL3110304 0.88 ALDH1A1 (0.41) KMT2ABRAFKDM4EALDH1A1L3MBTL1
SCHEMBL429726 0.87 ALDH1A1 (0.38) KMT2AGRM4BRAFKDM4EALDH1A1
SCHEMBL11926359 0.87 ALDH1A1 (0.40) KMT2ABRAFKDM4EALDH1A1L3MBTL1
SCHEMBL3110036 0.87 ALDH1A1 (0.42) KMT2ABRAFKDM4EALDH1A1L3MBTL1
SCHEMBL431018 0.87 GRM4 (0.46) KMT2AGRM4TERTKDM4EALDH1A1

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-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-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-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-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-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

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (4 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 KMT2A 4300/4885GRM4 4673/4885AKT1 2110/4885
US-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS REL, NFATC1, BCL6 KMT2A 1509/4885GRM4 2087/4885AKT1 1549/4885
US-20090163708-A1 PROCESS FOR PREPARING MESYLATE SALTS OF IL-12 INHIBITORY COMPOUNDS IL17A, IL23R, IL2 KMT2A 1939/4885GRM4 4294/4885AKT1 3046/4885
US-20100256132-A1 IL-12 MODULATORY COMPOUNDS IL2, IL4, IFNG KMT2A 3672/4885GRM4 1556/4885AKT1 1094/4885

“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.