SCHEMBL430028

SCHEMBL430028

C(=NNc1cc(N2CCOCC2)cc(OCCN2CCOCC2)n1)c1ccc2ccccc2c1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 4/20 0.52
MAPT P10636 10/20 0.51
ALDH1A1 P00352 4/20 0.51
KMT2A Q03164 3/20 0.51
L3MBTL1 Q9Y468 2/20 0.51
NPC1 O15118 2/20 0.51
RAB9A P51151 2/20 0.51
SMN1; SMN2 Q16637 2/20 0.51
MEN1 O00255 2/20 0.51
MAPK1 P28482 2/20 0.51
HTR2B P41595 1/20 0.48
KDM4E B2RXH2 6/20 0.44
LMNA P02545 4/20 0.44
FES P07332 1/20 0.43
FER P16591 1/20 0.43
TYK2 P29597 1/20 0.43
FRK P42685 1/20 0.43
SYK P43405 1/20 0.43
CAMK1D Q8IU85 1/20 0.43
IRAK4 Q9NWZ3 1/20 0.43

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
SCHEMBL430027 1.00 SIGMAR1 (0.52) SIGMAR1MAPTALDH1A1KMT2AL3MBTL1
SCHEMBL428539 0.91 KDM4E (0.54) SIGMAR1MAPTALDH1A1KMT2AL3MBTL1
SCHEMBL428538 0.91 KDM4E (0.54) SIGMAR1MAPTALDH1A1KMT2AL3MBTL1
SCHEMBL428535 0.88 MAPT (0.52) MAPTALDH1A1KMT2AL3MBTL1NPC1
SCHEMBL428536 0.88 MAPT (0.52) MAPTALDH1A1KMT2AL3MBTL1NPC1
SCHEMBL424050 0.87 MAPT (0.44) SIGMAR1MAPTALDH1A1KMT2AL3MBTL1
SCHEMBL424769 0.87 MAPT (0.44) MAPTALDH1A1KMT2AL3MBTL1NPC1
SCHEMBL429021 0.87 MAPT (0.47) MAPTALDH1A1KMT2AL3MBTL1NPC1
SCHEMBL424770 0.87 MAPT (0.44) MAPTALDH1A1KMT2AL3MBTL1NPC1
SCHEMBL429022 0.87 MAPT (0.47) MAPTALDH1A1KMT2AL3MBTL1NPC1

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-8173651-B2 Pyridine compounds SYNTA PHARMACEUTICALS CORPORATION (US) 2012-05-08 US claimed
US-7687498-B2 Pyridine compounds SYNTA PHARMACEUTICALS CORPORATION (US) 2010-03-30 US claimed
US-7338951-B2 Pyridine compounds SYNTA PHARMACEUTICALS CORP. (US) 2008-03-04 US claimed
US-20050250774-A1 Pyridine compounds LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2005-11-10 US claimed
US-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS SYNTA PHARMACEUTICALS CORP (US) 2015-06-25 US disclosed
US-8173651-B2 Pyridine compounds SYNTA PHARMACEUTICALS CORPORATION (US) 2012-05-08 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-20100173413-A1 PYRIDINE COMPOUNDS SYNTA PHARMACEUTICALS CORPORATION (US) 2010-07-08 US disclosed
US-7687498-B2 Pyridine compounds SYNTA PHARMACEUTICALS CORPORATION (US) 2010-03-30 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-20080167300-A1 PYRIDINE COMPOUNDS MADRIGAL PHARMACEUTICALS, INC. 2008-07-10 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 (7 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-20080167300-A1 PYRIDINE COMPOUNDS IL2, IL4, IL6 SIGMAR1 3553/4885MAPT 1165/4885ALDH1A1 334/4885
US-20110098267-A1 TOPICAL FORMULATIONS FOR THE TREATMENT OF PSORIASIS IL17A, IL23R, IL15 SIGMAR1 4309/4885MAPT 238/4885ALDH1A1 1903/4885
US-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS REL, NFATC1, BCL6 SIGMAR1 3961/4885MAPT 4316/4885ALDH1A1 3468/4885
US-20100173413-A1 PYRIDINE COMPOUNDS IL2, IL4, IL6 SIGMAR1 3553/4885MAPT 1165/4885ALDH1A1 334/4885
US-20050250774-A1 Pyridine compounds IL2, IL4, IL6 SIGMAR1 3553/4885MAPT 1165/4885ALDH1A1 334/4885
US-20090163708-A1 PROCESS FOR PREPARING MESYLATE SALTS OF IL-12 INHIBITORY COMPOUNDS IL17A, IL23R, IL2 SIGMAR1 4405/4885MAPT 2815/4885ALDH1A1 747/4885
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders REL, NFATC1, BCL6 SIGMAR1 3961/4885MAPT 4316/4885ALDH1A1 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.