SCHEMBL430389

SCHEMBL430389

N/N=C(\c1cccc(C(N)=O)c1)c1cc(N2CCOCC2)cc(OCCN2CCOCC2)n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DDR2 Q16832 1/20 0.42
MTOR P42345 1/20 0.41
JAK2 O60674 2/20 0.39
SIGMAR1 Q99720 4/20 0.39
CHUK O15111 1/20 0.39
INSR P06213 1/20 0.39
MAPK8 P45983 1/20 0.39
CAMKK2 Q96RR4 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
KDM4E B2RXH2 1/20 0.39
TP53 P04637 1/20 0.39
TSHR P16473 1/20 0.39
MAPK14 Q16539 1/20 0.39
MEN1 O00255 1/20 0.38
KMT2A Q03164 1/20 0.38
AURKA O14965 1/20 0.38
RPS6KB1 P23443 1/20 0.38
KMO O15229 1/20 0.38
CNR1 P21554 1/20 0.38
CNR2 P34972 1/20 0.38

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
SCHEMBL430391 1.00 DDR2 (0.42) DDR2MTORJAK2SIGMAR1CHUK
SCHEMBL425404 0.93 KMO (0.45) DDR2SIGMAR1L3MBTL1KDM4ETP53
SCHEMBL425402 0.93 KMO (0.45) DDR2SIGMAR1L3MBTL1KDM4ETP53
SCHEMBL425820 0.91 MRGPRX4 (0.47) DDR2SIGMAR1L3MBTL1TP53MEN1
SCHEMBL425345 0.90 DDR2 (0.42) DDR2SIGMAR1L3MBTL1MAPK14MEN1
SCHEMBL425347 0.90 DDR2 (0.42) DDR2SIGMAR1L3MBTL1MAPK14MEN1
SCHEMBL425298 0.89 L3MBTL1 (0.48) SIGMAR1L3MBTL1KDM4ETP53MEN1
SCHEMBL430905 0.89 CASP7 (0.42) MTORJAK2SIGMAR1CHUKINSR
SCHEMBL430903 0.89 CASP7 (0.42) MTORJAK2SIGMAR1CHUKINSR
SCHEMBL425301 0.88 CASR (0.42) DDR2SIGMAR1L3MBTL1KDM4EMEN1

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 DDR2 4605/4885MTOR 1388/4885JAK2 22/4885
US-20110098267-A1 TOPICAL FORMULATIONS FOR THE TREATMENT OF PSORIASIS IL17A, IL23R, IL15 DDR2 4598/4885MTOR 3123/4885JAK2 400/4885
US-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS REL, NFATC1, BCL6 DDR2 4551/4885MTOR 3130/4885JAK2 1838/4885
US-20100173413-A1 PYRIDINE COMPOUNDS IL2, IL4, IL6 DDR2 4605/4885MTOR 1388/4885JAK2 22/4885
US-20050250774-A1 Pyridine compounds IL2, IL4, IL6 DDR2 4605/4885MTOR 1388/4885JAK2 22/4885
US-20090163708-A1 PROCESS FOR PREPARING MESYLATE SALTS OF IL-12 INHIBITORY COMPOUNDS IL17A, IL23R, IL2 DDR2 4866/4885MTOR 2559/4885JAK2 42/4885
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders REL, NFATC1, BCL6 DDR2 4551/4885MTOR 3130/4885JAK2 1838/4885

“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.