SCHEMBL428811

SCHEMBL428811

Cc1ccc(N)c(C(=NN)c2cc(N3CCOCC3)cc(OCCN3CCOCC3)n2)c1

nearest known ligand 0.42

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
SIGMAR1 Q99720 7/20 0.39
HTR2B P41595 1/20 0.39
CASP7 P55210 1/20 0.39
CASP6 P55212 1/20 0.39
ACHE P22303 1/20 0.38
KCNH2 Q12809 1/20 0.38
POLB P06746 1/20 0.36
SYK P43405 1/20 0.36

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
SCHEMBL428809 1.00 SIGMAR1 (0.39) SIGMAR1HTR2BCASP7CASP6ACHE
SCHEMBL430597 0.91 SIGMAR1 (0.39) SIGMAR1HTR2BCASP7CASP6ACHE
SCHEMBL430595 0.91 SIGMAR1 (0.39) SIGMAR1HTR2BCASP7CASP6ACHE
SCHEMBL424147 0.89 SIGMAR1 (0.38) SIGMAR1HTR2BCASP7CASP6ACHE
SCHEMBL425670 0.89 SIGMAR1 (0.38) SIGMAR1HTR2BCASP7CASP6ACHE
SCHEMBL303636 0.87 MCHR1 (0.36)
SCHEMBL430185 0.85 SIGMAR1 (0.37) SIGMAR1HTR2BCASP7CASP6ACHE
SCHEMBL430905 0.80 CASP7 (0.42) SIGMAR1HTR2BCASP7CASP6POLB
SCHEMBL430903 0.80 CASP7 (0.42) SIGMAR1HTR2BCASP7CASP6POLB
SCHEMBL2672451 0.78 SIGMAR1 (0.41) SIGMAR1HTR2B

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 22 patents — showing the first 20. 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
EP-1687004-A4 PYRIDINE COMPOUNDS SYNTA PHARMACEUTICALS CORP (US) 2009-04-08 EP claimed
US-7338951-B2 Pyridine compounds SYNTA PHARMACEUTICALS CORP. (US) 2008-03-04 US claimed
JP-2007510747-A 2007-04-26 JP claimed
EP-1687004-A2 PYRIDINE COMPOUNDS Synta Pharmaceuticals Corporation (US) 2006-08-09 EP claimed
US-20050250774-A1 Pyridine compounds LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2005-11-10 US claimed
WO-2005046603-A2 PYRIDINE COMPOUNDS SYNTA PHARMACEUTICALS, CORP. (US) 2005-05-26 WO 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-20080167300-A1 PYRIDINE COMPOUNDS MADRIGAL PHARMACEUTICALS, INC. 2008-07-10 US disclosed
US-7338951-B2 Pyridine compounds SYNTA PHARMACEUTICALS CORP. (US) 2008-03-04 US disclosed
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders SYNTA PHARMACEUTICALS CORP. (US) 2007-02-08 US disclosed
EP-1687004-A2 PYRIDINE COMPOUNDS Synta Pharmaceuticals Corporation (US) 2006-08-09 EP disclosed
US-20050250774-A1 Pyridine compounds LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2005-11-10 US disclosed
WO-2005046603-A2 PYRIDINE COMPOUNDS SYNTA PHARMACEUTICALS, CORP. (US) 2005-05-26 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 (6 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 3553/4885HTR2B 1832/4885CASP7 833/4885
US-20110098267-A1 TOPICAL FORMULATIONS FOR THE TREATMENT OF PSORIASIS IL17A, IL23R, IL15 SIGMAR1 4309/4885HTR2B 4593/4885CASP7 1449/4885
US-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS REL, NFATC1, BCL6 SIGMAR1 3961/4885HTR2B 4260/4885CASP7 821/4885
US-20100173413-A1 PYRIDINE COMPOUNDS IL2, IL4, IL6 SIGMAR1 3553/4885HTR2B 1832/4885CASP7 833/4885
US-20050250774-A1 Pyridine compounds IL2, IL4, IL6 SIGMAR1 3553/4885HTR2B 1832/4885CASP7 833/4885
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders REL, NFATC1, BCL6 SIGMAR1 3961/4885HTR2B 4260/4885CASP7 821/4885

“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.