SCHEMBL428097

SCHEMBL428097

COc1ccc(CCOc2nc(Nc3cc(-c4nc5ccccc5[nH]4)[nH]n3)nc(N3CCOCC3)n2)cc1OC

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FOXO1 Q12778 4/20 0.49
MEN1 O00255 3/20 0.47
KMT2A Q03164 3/20 0.47
ALOX15 P16050 2/20 0.47
MAPT P10636 4/20 0.41
LMNA P02545 2/20 0.40
TSHR P16473 2/20 0.40
NPSR1 Q6W5P4 2/20 0.40
TP53 P04637 2/20 0.40
GAA P10253 1/20 0.40
MAPK1 P28482 1/20 0.40
HTT P42858 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
ACHE P22303 1/20 0.39
USP2 O75604 2/20 0.38
HSD17B10 Q99714 2/20 0.38
POLB P06746 2/20 0.37
CRHBP P24387 1/20 0.37
CRHR2 Q13324 1/20 0.37

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
SCHEMBL14586462 0.89 MEN1 (0.48) MEN1KMT2AALOX15MAPTLMNA
SCHEMBL13758969 0.88 FOXO1 (0.49) FOXO1MEN1KMT2AALOX15MAPT
SCHEMBL422090 0.78 MEN1 (0.51) MEN1KMT2AALOX15MAPTLMNA
SCHEMBL14613056 0.77 MEN1 (0.46) MEN1KMT2AALOX15MAPTLMNA
SCHEMBL12772251 0.76 MEN1 (0.55) MEN1KMT2AALOX15MAPTLMNA
SCHEMBL428570 0.74 KMT2A (0.49) MEN1KMT2AALOX15MAPTLMNA
SCHEMBL425744 0.74 MEN1 (0.52) MEN1KMT2AALOX15MAPTLMNA
SCHEMBL3323198 0.74 MEN1 (0.52) MEN1KMT2AALOX15MAPTLMNA
SCHEMBL428582 0.72 KMT2A (0.49) MEN1KMT2AALOX15MAPTLMNA
SCHEMBL10198698 0.72 MAPT (0.59) MEN1KMT2AALOX15MAPTLMNA

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 11 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-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS SYNTA PHARMACEUTICALS CORP (US) 2015-06-25 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-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
EP-1345928-B1 PYRAZOLE COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMA (US) 2007-02-14 EP disclosed
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders SYNTA PHARMACEUTICALS CORP. (US) 2007-02-08 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 FOXO1 3151/4885MEN1 4796/4885KMT2A 4300/4885
US-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS REL, NFATC1, BCL6 FOXO1 430/4885MEN1 3751/4885KMT2A 1509/4885
US-20090163708-A1 PROCESS FOR PREPARING MESYLATE SALTS OF IL-12 INHIBITORY COMPOUNDS IL17A, IL23R, IL2 FOXO1 4781/4885MEN1 293/4885KMT2A 1939/4885
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders REL, NFATC1, BCL6 FOXO1 430/4885MEN1 3751/4885KMT2A 1509/4885

“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.