SCHEMBL430188

SCHEMBL430188

NN=C(c1cc(CO)cc(C(N)=O)c1)c1cc(N2CCOCC2)cc(OCCN2CCOCC2)n1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MTOR P42345 2/20 0.38
CASP7 P55210 1/20 0.38
CASP6 P55212 1/20 0.38
JAK2 O60674 2/20 0.37
DDR2 Q16832 1/20 0.35
INSR P06213 4/20 0.34
CHUK O15111 3/20 0.34
MAPK8 P45983 3/20 0.34
CAMKK2 Q96RR4 3/20 0.34
SIGMAR1 Q99720 2/20 0.34
AXL P30530 1/20 0.34
GAA P10253 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
KMO O15229 2/20 0.33
OPRM1 P35372 1/20 0.33
OPRD1 P41143 1/20 0.33
OPRK1 P41145 1/20 0.33
SCN9A Q15858 1/20 0.33
AKT1 P31749 1/20 0.33
PIK3CA P42336 1/20 0.33

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
SCHEMBL430186 1.00 MTOR (0.38) MTORCASP7CASP6JAK2DDR2
SCHEMBL430905 0.92 CASP7 (0.42) MTORCASP7CASP6JAK2INSR
SCHEMBL430903 0.92 CASP7 (0.42) MTORCASP7CASP6JAK2INSR
SCHEMBL430389 0.88 DDR2 (0.42) MTORJAK2DDR2INSRCHUK
SCHEMBL430391 0.88 DDR2 (0.42) MTORJAK2DDR2INSRCHUK
SCHEMBL425402 0.83 KMO (0.45) DDR2SIGMAR1KMO
SCHEMBL425404 0.83 KMO (0.45) DDR2SIGMAR1KMO
SCHEMBL425820 0.81 MRGPRX4 (0.47) CASP7CASP6DDR2SIGMAR1GAA
SCHEMBL425347 0.80 DDR2 (0.42) CASP7CASP6DDR2SIGMAR1SMN1; SMN2
SCHEMBL425345 0.80 DDR2 (0.42) CASP7CASP6DDR2SIGMAR1SMN1; SMN2

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 17 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
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-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 MTOR 1388/4885CASP7 833/4885CASP6 344/4885
US-20110098267-A1 TOPICAL FORMULATIONS FOR THE TREATMENT OF PSORIASIS IL17A, IL23R, IL15 MTOR 3123/4885CASP7 1449/4885CASP6 2207/4885
US-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS REL, NFATC1, BCL6 MTOR 3130/4885CASP7 821/4885CASP6 897/4885
US-20100173413-A1 PYRIDINE COMPOUNDS IL2, IL4, IL6 MTOR 1388/4885CASP7 833/4885CASP6 344/4885
US-20050250774-A1 Pyridine compounds IL2, IL4, IL6 MTOR 1388/4885CASP7 833/4885CASP6 344/4885
US-20090163708-A1 PROCESS FOR PREPARING MESYLATE SALTS OF IL-12 INHIBITORY COMPOUNDS IL17A, IL23R, IL2 MTOR 2559/4885CASP7 229/4885CASP6 361/4885
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders REL, NFATC1, BCL6 MTOR 3130/4885CASP7 821/4885CASP6 897/4885

“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.