SCHEMBL425089

SCHEMBL425089

NC(=O)c1cccc(NC(=O)c2cc(N3CCOCC3)nc(N3CCOCC3)n2)c1

nearest known ligand 0.51

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.51
KMT2A Q03164 1/20 0.51
RAF1 P04049 10/20 0.51
BRAF P15056 10/20 0.51
AKT1 P31749 2/20 0.49
PIK3CA P42336 1/20 0.49
NPC1 O15118 2/20 0.48
RAB9A P51151 2/20 0.48
KDM4E B2RXH2 2/20 0.47
HIF1A Q16665 2/20 0.47
LMNA P02545 1/20 0.47
POLB P06746 1/20 0.47
HTT P42858 1/20 0.47
HSD17B10 Q99714 1/20 0.47
GPR55 Q9Y2T6 1/20 0.47
MTOR P42345 1/20 0.47
ALDH1A1 P00352 1/20 0.47

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
SCHEMBL1271602 0.82 AKT1 (0.61) MEN1KMT2ARAF1BRAFAKT1
SCHEMBL423803 0.81 KDR (0.46) MEN1KMT2APIK3CAMTOR
SCHEMBL425091 0.80 RAF1 (0.62) RAF1BRAF
SCHEMBL7692421 0.79 MAPK13 (0.60) RAF1BRAFPIK3CANPC1RAB9A
SCHEMBL6651425 0.78 POLB (0.64) MEN1KMT2APIK3CAKDM4ELMNA
SCHEMBL429233 0.78 MTOR (0.42) MEN1KMT2ARAF1BRAFAKT1
SCHEMBL1271530 0.76 NPC1 (0.52) RAF1BRAFPIK3CANPC1RAB9A
SCHEMBL1270765 0.75 RAF1 (0.48) RAF1BRAFAKT1KDM4EHIF1A
SCHEMBL425521 0.74 RAF1 (0.51) RAF1BRAFKDM4EHIF1ALMNA
SCHEMBL30040396 0.74 CD38 (0.65) MEN1KMT2ARAF1BRAFAKT1

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 24 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110034454-A1 MORPHOLINO PYRIMIDINE DERIVATIVES AND THEIR USE IN THERAPY ASTRAZENECA AB (SE) 2011-02-10 US claimed
EP-1979325-A1 MORPHOLINO PYRIMIDINE DERIVATIVES AND THEIR USE IN THERAPY AstraZeneca AB (SE) 2008-10-15 EP claimed
WO-2007080382-A1 MORPHOLINO PYRIMIDINE DERIVATIVES AND THEIR USE IN THERAPY ASTRAZENECA AB (SE) 2007-07-19 WO claimed
US-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS SYNTA PHARMACEUTICALS CORP (US) 2015-06-25 US disclosed
US-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS SYNTA PHARMACEUTICALS CORP (US) 2015-06-25 US disclosed
US-8236795-B2 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2012-08-07 US disclosed
US-8236795-B2 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2012-08-07 US disclosed
US-20120021434-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS SYNTA PHARMACEUTICALS CORP. (US) 2012-01-26 US disclosed
US-20120021434-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS SYNTA PHARMACEUTICALS CORP. (US) 2012-01-26 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-20100256132-A1 IL-12 MODULATORY COMPOUNDS SYNTA PHARMACEUTICALS CORPORATION (US) 2010-10-07 US disclosed
US-7696202-B2 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2010-04-13 US disclosed
US-7696202-B2 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2010-04-13 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-20090163708-A1 PROCESS FOR PREPARING MESYLATE SALTS OF IL-12 INHIBITORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2009-06-25 US disclosed
EP-1979325-A1 MORPHOLINO PYRIMIDINE DERIVATIVES AND THEIR USE IN THERAPY AstraZeneca AB (SE) 2008-10-15 EP disclosed
WO-2007080382-A1 MORPHOLINO PYRIMIDINE DERIVATIVES AND THEIR USE IN THERAPY ASTRAZENECA AB (SE) 2007-07-19 WO disclosed
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders SYNTA PHARMACEUTICALS CORP. (US) 2007-02-08 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-20110034454-A1 MORPHOLINO PYRIMIDINE DERIVATIVES AND THEIR USE IN THERAPY TYMP, TYMS, PIK3CA MEN1 2907/4885KMT2A 2550/4885RAF1 388/4885
US-20110098267-A1 TOPICAL FORMULATIONS FOR THE TREATMENT OF PSORIASIS IL17A, IL23R, IL15 MEN1 4796/4885KMT2A 4300/4885RAF1 2190/4885
US-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS REL, NFATC1, BCL6 MEN1 3751/4885KMT2A 1509/4885RAF1 736/4885
US-20090163708-A1 PROCESS FOR PREPARING MESYLATE SALTS OF IL-12 INHIBITORY COMPOUNDS IL17A, IL23R, IL2 MEN1 293/4885KMT2A 1939/4885RAF1 2804/4885
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders REL, NFATC1, BCL6 MEN1 3751/4885KMT2A 1509/4885RAF1 736/4885
US-20100256132-A1 IL-12 MODULATORY COMPOUNDS IL2, IL4, IFNG MEN1 4303/4885KMT2A 3672/4885RAF1 2782/4885

“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.