SCHEMBL426665

SCHEMBL426665

COc1ccc(CCOc2nc(NN=Cc3c[nH]c4ccccc34)nc(N3CCOCC3)n2)cc1OC

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 15/20 0.59
GAA P10253 7/20 0.59
ALDH1A1 P00352 6/20 0.59
MEN1 O00255 8/20 0.58
KMT2A Q03164 8/20 0.58
LMNA P02545 6/20 0.58
CYP1A2 P05177 1/20 0.58
CYP3A4 P08684 1/20 0.58
CYP2C9 P11712 1/20 0.58
CYP2C19 P33261 1/20 0.58
PIKFYVE Q9Y2I7 1/20 0.58
NPSR1 Q6W5P4 4/20 0.57
THRB P10828 1/20 0.57
L3MBTL1 Q9Y468 2/20 0.52
POLB P06746 1/20 0.52
ALOX15 P16050 1/20 0.48
RECQL P46063 1/20 0.44
KDM4E B2RXH2 3/20 0.43
BLM P54132 1/20 0.42
HTT P42858 3/20 0.42

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
SCHEMBL426664 1.00 MAPT (0.59) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL10198698 1.00 MAPT (0.59) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL10196628 0.94 MAPT (0.57) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL13801461 0.93 MAPT (0.56) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL13758948 0.93 MAPT (0.62) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL426269 0.89 MAPT (0.68) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL10196633 0.89 MAPT (0.68) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL426270 0.89 MAPT (0.68) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL10195987 0.89 MAPT (0.49) MAPTGAAALDH1A1MEN1KMT2A
SCHEMBL429532 0.89 MAPT (0.49) MAPTGAAALDH1A1MEN1KMT2A

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 5 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-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-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

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 MAPT 238/4885GAA 2575/4885ALDH1A1 1903/4885
US-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS REL, NFATC1, BCL6 MAPT 4316/4885GAA 3596/4885ALDH1A1 3468/4885
US-20090163708-A1 PROCESS FOR PREPARING MESYLATE SALTS OF IL-12 INHIBITORY COMPOUNDS IL17A, IL23R, IL2 MAPT 2815/4885GAA 2317/4885ALDH1A1 747/4885
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders REL, NFATC1, BCL6 MAPT 4316/4885GAA 3596/4885ALDH1A1 3468/4885

“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.