SCHEMBL427632

SCHEMBL427632

O=C1CCN(c2nc(NN=Cc3c[nH]c4ccccc34)nc(OCCc3ccccn3)n2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 11/20 0.56
MEN1 O00255 6/20 0.56
KMT2A Q03164 6/20 0.56
POLB P06746 2/20 0.56
L3MBTL1 Q9Y468 2/20 0.56
GAA P10253 7/20 0.49
LMNA P02545 4/20 0.49
PIKFYVE Q9Y2I7 2/20 0.49
CYP1A2 P05177 2/20 0.49
CYP3A4 P08684 2/20 0.49
CYP2C9 P11712 2/20 0.49
CYP2C19 P33261 2/20 0.49
ALDH1A1 P00352 3/20 0.49
THRB P10828 1/20 0.47
NPSR1 Q6W5P4 1/20 0.47
TDP1 Q9NUW8 4/20 0.44
ATM Q13315 1/20 0.44
RECQL P46063 1/20 0.43
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 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
SCHEMBL427631 1.00 MAPT (0.56) MAPTMEN1KMT2APOLBL3MBTL1
SCHEMBL10198807 1.00 MAPT (0.56) MAPTMEN1KMT2APOLBL3MBTL1
SCHEMBL13759054 0.92 MAPT (0.56) MAPTMEN1KMT2APOLBL3MBTL1
SCHEMBL3088439 0.90 MAPT (0.62) MAPTMEN1KMT2APOLBL3MBTL1
SCHEMBL3325959 0.90 MAPT (0.62) MAPTMEN1KMT2APOLBL3MBTL1
SCHEMBL10195928 0.90 MAPT (0.62) MAPTMEN1KMT2APOLBL3MBTL1
SCHEMBL10197241 0.87 MAPT (0.53) MAPTMEN1KMT2APOLBL3MBTL1
SCHEMBL425006 0.87 MAPT (0.53) MAPTMEN1KMT2APOLBL3MBTL1
SCHEMBL425005 0.87 MAPT (0.53) MAPTMEN1KMT2APOLBL3MBTL1
SCHEMBL10196633 0.79 MAPT (0.68) MAPTMEN1KMT2APOLBL3MBTL1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7919487-B2 Heteroaryl compounds SYNTA PHARMACEUTICALS CORPORATION (US) 2011-04-05 US claimed
WO-2006053109-A1 HETEROARYL 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-20120021434-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS SYNTA PHARMACEUTICALS CORP. (US) 2012-01-26 US disclosed
US-7919487-B2 Heteroaryl compounds SYNTA PHARMACEUTICALS CORPORATION (US) 2011-04-05 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
WO-2006053109-A1 HETEROARYL 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 (3 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-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS REL, NFATC1, BCL6 MAPT 4316/4885MEN1 3751/4885KMT2A 1509/4885
US-20090163708-A1 PROCESS FOR PREPARING MESYLATE SALTS OF IL-12 INHIBITORY COMPOUNDS IL17A, IL23R, IL2 MAPT 2815/4885MEN1 293/4885KMT2A 1939/4885
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders REL, NFATC1, BCL6 MAPT 4316/4885MEN1 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.