SCHEMBL426831

SCHEMBL426831

COc1ccccc1NC(=O)Nc1cc(OCCN2CCOCC2)nc(N2CCOCC2)n1

nearest known ligand 0.55

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ MAPK14 Q16539 2/20 0.55
▸ MAPK13 O15264 1/20 0.55
▸ MAPK12 P53778 1/20 0.55
▸ MAPK11 Q15759 1/20 0.55
▸ POLB P06746 1/20 0.54
▸ RAB9A P51151 2/20 0.52
▸ MAPT P10636 2/20 0.52
▸ NPC1 O15118 1/20 0.52
▸ ALDH1A1 P00352 2/20 0.52
▸ AKT1 P31749 4/20 0.50
▸ LCK P06239 3/20 0.47
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ NPSR1 Q6W5P4 1/20 0.45
▸ LMNA P02545 1/20 0.45

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
SCHEMBL14530477 0.96 MAPK13 (0.53) MAPK14MAPK13MAPK12MAPK11POLB
SCHEMBL3107346 0.88 POLB (0.47) MAPK14MAPK13MAPK12MAPK11POLB
SCHEMBL3114122 0.88 KCNA5 (0.46) MAPK14MAPK13MAPK12MAPK11POLB
SCHEMBL428867 0.86 CYP3A4 (0.56) MAPTALDH1A1LMNA
SCHEMBL425124 0.85 POLB (0.55) POLBALDH1A1AKT1LCK
SCHEMBL13759251 0.84 MAPK14 (0.51) MAPK14MAPK13MAPK12MAPK11POLB
SCHEMBL3116877 0.84 MAPK14 (0.48) MAPK14MAPK13MAPK12MAPK11AKT1
SCHEMBL3112262 0.82 MAPK14 (0.46) MAPK14MAPK13MAPK12MAPK11MAPT
SCHEMBL426838 0.82 MTOR (0.56) MAPK14MAPK13MAPK12MAPK11MAPT
SCHEMBL428259 0.82 TSHR (0.52) POLBMAPTAKT1MEN1KMT2A

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 30 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
EP-1819341-A2 IL-12 MODULATORY COMPOUNDS Synta Pharmaceuticals Corporation (US) 2007-08-22 — — EP claimed
US-20060223996-A1 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2006-10-05 — — US claimed
WO-2006053227-A2 IL-12 MODULATORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2006-05-18 — — WO 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-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-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
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 (5 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 MAPK14 305/4885MAPK13 315/4885MAPK12 51/4885
US-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS REL, NFATC1, BCL6 MAPK14 3031/4885MAPK13 2455/4885MAPK12 1915/4885
US-20090163708-A1 PROCESS FOR PREPARING MESYLATE SALTS OF IL-12 INHIBITORY COMPOUNDS IL17A, IL23R, IL2 MAPK14 160/4885MAPK13 69/4885MAPK12 25/4885
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders REL, NFATC1, BCL6 MAPK14 3031/4885MAPK13 2455/4885MAPK12 1915/4885
US-20100256132-A1 IL-12 MODULATORY COMPOUNDS IL2, IL4, IFNG MAPK14 305/4885MAPK13 315/4885MAPK12 51/4885

“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.

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