SCHEMBL425301

SCHEMBL425301

CC(C)OC(=O)c1cccc(C(=NN)c2cc(N3CCOCC3)cc(OCCN3CCOCC3)n2)c1

nearest known ligand 0.42

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
CASR P41180 1/20 0.42
NR1H4 Q96RI1 5/20 0.41
L3MBTL1 Q9Y468 2/20 0.41
PPARG P37231 1/20 0.39
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
GLA P06280 1/20 0.38
GAA P10253 1/20 0.38
HPGD P15428 1/20 0.38
RCE1 Q9Y256 1/20 0.38
SIGMAR1 Q99720 2/20 0.38
DDR2 Q16832 1/20 0.38
CASP7 P55210 1/20 0.38
CASP6 P55212 1/20 0.38
MRGPRX4 Q96LA9 1/20 0.37
MEN1 O00255 1/20 0.37
KMT2A Q03164 1/20 0.37
NPC1 O15118 1/20 0.37

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
SCHEMBL425820 0.91 MRGPRX4 (0.47) CASRL3MBTL1ALDH1A1GAASIGMAR1
SCHEMBL425298 0.90 L3MBTL1 (0.48) L3MBTL1KDM4EGAASIGMAR1CASP7
SCHEMBL430391 0.88 DDR2 (0.42) L3MBTL1KDM4ESIGMAR1DDR2MEN1
SCHEMBL425402 0.88 KMO (0.45) L3MBTL1KDM4ESIGMAR1DDR2MEN1
SCHEMBL425404 0.88 KMO (0.45) L3MBTL1KDM4ESIGMAR1DDR2MEN1
SCHEMBL430389 0.88 DDR2 (0.42) L3MBTL1KDM4ESIGMAR1DDR2MEN1
SCHEMBL425345 0.87 DDR2 (0.42) L3MBTL1ALDH1A1SIGMAR1DDR2CASP7
SCHEMBL425347 0.87 DDR2 (0.42) L3MBTL1ALDH1A1SIGMAR1DDR2CASP7
SCHEMBL426673 0.84 MAPT (0.42) L3MBTL1KDM4ESIGMAR1DDR2MEN1
SCHEMBL425814 0.84 SIGMAR1 (0.40) SIGMAR1DDR2CASP7CASP6

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 12 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-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 (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-20110098267-A1 TOPICAL FORMULATIONS FOR THE TREATMENT OF PSORIASIS IL17A, IL23R, IL15 CASR 4443/4885NR1H4 738/4885L3MBTL1 4848/4885
US-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS REL, NFATC1, BCL6 CASR 2524/4885NR1H4 115/4885L3MBTL1 1129/4885
US-20100173413-A1 PYRIDINE COMPOUNDS IL2, IL4, IL6 CASR 4004/4885NR1H4 179/4885L3MBTL1 4499/4885
US-20050250774-A1 Pyridine compounds IL2, IL4, IL6 CASR 4004/4885NR1H4 179/4885L3MBTL1 4499/4885
US-20090163708-A1 PROCESS FOR PREPARING MESYLATE SALTS OF IL-12 INHIBITORY COMPOUNDS IL17A, IL23R, IL2 CASR 3798/4885NR1H4 2303/4885L3MBTL1 3992/4885
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders REL, NFATC1, BCL6 CASR 2524/4885NR1H4 115/4885L3MBTL1 1129/4885

“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.