SCHEMBL425820

SCHEMBL425820

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

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MRGPRX4 Q96LA9 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.43
ALDH1A1 P00352 1/20 0.42
PDGFRB P09619 2/20 0.41
FGFR1 P11362 2/20 0.41
PDGFRA P16234 2/20 0.41
FLT1 P17948 2/20 0.41
FGFR3 P22607 2/20 0.41
KDR P35968 2/20 0.41
DDR2 Q16832 1/20 0.41
ATM Q13315 1/20 0.40
CASR P41180 2/20 0.40
SIGMAR1 Q99720 2/20 0.40
MAPT P10636 2/20 0.40
PKM P14618 1/20 0.40
ALOX15 P16050 1/20 0.40
HTR7 P34969 1/20 0.40
TP53 P04637 1/20 0.39
GAA P10253 1/20 0.39
CASP7 P55210 1/20 0.39

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
SCHEMBL425298 0.92 L3MBTL1 (0.48) L3MBTL1SIGMAR1MAPTTP53GAA
SCHEMBL425301 0.91 CASR (0.42) MRGPRX4L3MBTL1ALDH1A1DDR2CASR
SCHEMBL425347 0.91 DDR2 (0.42) L3MBTL1ALDH1A1FGFR1KDRDDR2
SCHEMBL425345 0.91 DDR2 (0.42) L3MBTL1ALDH1A1FGFR1KDRDDR2
SCHEMBL425402 0.91 KMO (0.45) L3MBTL1DDR2SIGMAR1TP53MEN1
SCHEMBL430391 0.91 DDR2 (0.42) L3MBTL1DDR2SIGMAR1TP53MEN1
SCHEMBL430389 0.91 DDR2 (0.42) L3MBTL1DDR2SIGMAR1TP53MEN1
SCHEMBL425404 0.91 KMO (0.45) L3MBTL1DDR2SIGMAR1TP53MEN1
SCHEMBL425814 0.87 SIGMAR1 (0.40) KDRDDR2SIGMAR1CASP7CASP6
SCHEMBL425411 0.87 MAPK14 (0.43) DDR2HTR7

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 11 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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 MRGPRX4 1680/4885L3MBTL1 4848/4885ALDH1A1 1903/4885
US-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS REL, NFATC1, BCL6 MRGPRX4 328/4885L3MBTL1 1129/4885ALDH1A1 3468/4885
US-20100173413-A1 PYRIDINE COMPOUNDS IL2, IL4, IL6 MRGPRX4 347/4885L3MBTL1 4499/4885ALDH1A1 334/4885
US-20050250774-A1 Pyridine compounds IL2, IL4, IL6 MRGPRX4 347/4885L3MBTL1 4499/4885ALDH1A1 334/4885
US-20090163708-A1 PROCESS FOR PREPARING MESYLATE SALTS OF IL-12 INHIBITORY COMPOUNDS IL17A, IL23R, IL2 MRGPRX4 1047/4885L3MBTL1 3992/4885ALDH1A1 747/4885
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders REL, NFATC1, BCL6 MRGPRX4 328/4885L3MBTL1 1129/4885ALDH1A1 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.