SCHEMBL423981

SCHEMBL423981

Cc1ccccc1Oc1cc2c(N3CCOCC3)nc(OCCN3CCOCC3)nc2cn1

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MKNK1 Q9BUB5 2/20 0.42
AKT1 P31749 1/20 0.42
PIK3CA P42336 1/20 0.42
MTOR P42345 1/20 0.42
NTSR1 P30989 1/20 0.42
SIGMAR1 Q99720 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.40
HTR2B P41595 1/20 0.40
CRHR1 P34998 1/20 0.40
DRD1 P21728 1/20 0.39
DRD4 P21917 1/20 0.39
DRD5 P21918 1/20 0.39
TDP1 Q9NUW8 1/20 0.39
KDM4E B2RXH2 1/20 0.39
KRAS P01116 1/20 0.39
MEN1 O00255 1/20 0.39
KMT2A Q03164 1/20 0.39
PDE10A Q9Y233 1/20 0.39
HTR1A P08908 1/20 0.39
HTR1D P28221 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
SCHEMBL13759361 0.84 CRHR1 (0.48) MKNK1SIGMAR1SMN1; SMN2HTR2BCRHR1
SCHEMBL426104 0.82 AKT1 (0.46) MKNK1AKT1PIK3CAMTORSIGMAR1
SCHEMBL426084 0.78 MTOR (0.43) MKNK1AKT1PIK3CAMTOR
SCHEMBL10160975 0.78 MTOR (0.43) MKNK1AKT1PIK3CAMTORSIGMAR1
SCHEMBL422993 0.74 ACHE (0.49) PIK3CAKDM4EMEN1KMT2APDE10A
SCHEMBL426124 0.74 ALDH1A1 (0.48) PIK3CAMTORSIGMAR1KDM4EMEN1
SCHEMBL429465 0.74 LMNA (0.47) MKNK1PIK3CAMTORSMN1; SMN2TDP1
SCHEMBL430535 0.74 NPC1 (0.48) MKNK1PIK3CASIGMAR1HTR2BMEN1
SCHEMBL424750 0.74 PRKDC (0.43) AKT1PIK3CAMTORSIGMAR1PDE10A
SCHEMBL428634 0.72 NPC1 (0.44) MKNK1PIK3CAMTORKDM4EKRAS

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-20090253694-A1 Fused hetrocyclic compounds SYNTA PHARMACEUTICALS CORP. (US) 2009-10-08 US claimed
US-20050250770-A1 Fused heterocyclic 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-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-8318730-B2 Fused hetrocyclic compounds SYNTA PHARMACEUTICALS CORPORATION (US) 2012-11-27 US disclosed
US-8318730-B2 Fused hetrocyclic compounds SYNTA PHARMACEUTICALS CORPORATION (US) 2012-11-27 US disclosed
US-8318730-B2 Fused hetrocyclic compounds SYNTA PHARMACEUTICALS CORPORATION (US) 2012-11-27 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-7615552-B2 Fused heterocyclic compounds SYNTA PHARMACEUTICALS CORP. (US) 2009-11-10 US disclosed
US-7615552-B2 Fused heterocyclic compounds SYNTA PHARMACEUTICALS CORP. (US) 2009-11-10 US disclosed
US-20090253694-A1 Fused hetrocyclic compounds SYNTA PHARMACEUTICALS CORP. (US) 2009-10-08 US disclosed
US-20090253694-A1 Fused hetrocyclic compounds SYNTA PHARMACEUTICALS CORP. (US) 2009-10-08 US disclosed
US-20090253694-A1 Fused hetrocyclic compounds SYNTA PHARMACEUTICALS CORP. (US) 2009-10-08 US 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
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders SYNTA PHARMACEUTICALS CORP. (US) 2007-02-08 US disclosed
US-20050250770-A1 Fused heterocyclic compounds LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2005-11-10 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 (4 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-20050250770-A1 Fused heterocyclic compounds IL2, IL4, IL15 MKNK1 3226/4885AKT1 3906/4885PIK3CA 2415/4885
US-20090253694-A1 Fused hetrocyclic compounds IL2, IL15, IL4 MKNK1 3789/4885AKT1 3433/4885PIK3CA 1307/4885
US-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS REL, NFATC1, BCL6 MKNK1 2469/4885AKT1 1549/4885PIK3CA 4463/4885
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders REL, NFATC1, BCL6 MKNK1 2469/4885AKT1 1549/4885PIK3CA 4463/4885

“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.