SCHEMBL425603

SCHEMBL425603

Cc1cccc(-c2cnc3nc(OCCN4CCOCC4)nc(N4CCOCC4)c3n2)c1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NOS1 P29475 2/20 0.50
MET P08581 1/20 0.44
KDM4E B2RXH2 4/20 0.43
ALDH1A1 P00352 4/20 0.43
CYP3A4 P08684 4/20 0.43
HPGD P15428 4/20 0.43
HSD17B10 Q99714 4/20 0.43
GAK O14976 1/20 0.42
STK4 Q13043 1/20 0.42
STK3 Q13188 1/20 0.42
LRRK2 Q5S007 1/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
ACHE P22303 1/20 0.42
PIK3CA P42336 2/20 0.41
MTOR P42345 1/20 0.41
SIGMAR1 Q99720 1/20 0.40
TSHR P16473 1/20 0.40
TLR7 Q9NYK1 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
MKNK1 Q9BUB5 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
SCHEMBL430672 0.84 PIK3CA (0.44) KDM4EALDH1A1HSD17B10STK4STK3
SCHEMBL13759358 0.84 CRHR1 (0.43) NOS1METKDM4EALDH1A1CYP3A4
SCHEMBL428680 0.82 PIK3CA (0.47) KDM4EALDH1A1CYP3A4HPGDHSD17B10
SCHEMBL10160975 0.82 MTOR (0.43) KDM4EALDH1A1STK4STK3LRRK2
SCHEMBL426124 0.79 ALDH1A1 (0.48) KDM4EALDH1A1CYP3A4ACHEPIK3CA
SCHEMBL424750 0.78 PRKDC (0.43) STK4STK3LRRK2PIK3CAMTOR
SCHEMBL426617 0.77 PIK3CA (0.46) KDM4EALDH1A1HPGDHSD17B10GAK
SCHEMBL425642 0.72 KIT (0.42) ALDH1A1ACHEPIK3CAMTORSIGMAR1
SCHEMBL425520 0.72 ACHE (0.42) METKDM4EALDH1A1CYP3A4SMN1; SMN2
SCHEMBL4113633 0.71 ACHE (0.46) KDM4EALDH1A1HPGDHSD17B10ACHE

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 22 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-20110098267-A1 TOPICAL FORMULATIONS FOR THE TREATMENT OF PSORIASIS SYNTA PHARMACEUTICALS CORPORATION (US) 2011-04-28 US disclosed
US-20110098267-A1 TOPICAL FORMULATIONS FOR THE TREATMENT OF PSORIASIS SYNTA PHARMACEUTICALS CORPORATION (US) 2011-04-28 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 (5 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 NOS1 1085/4885MET 1339/4885KDM4E 3523/4885
US-20090253694-A1 Fused hetrocyclic compounds IL2, IL15, IL4 NOS1 2060/4885MET 1554/4885KDM4E 3697/4885
US-20110098267-A1 TOPICAL FORMULATIONS FOR THE TREATMENT OF PSORIASIS IL17A, IL23R, IL15 NOS1 348/4885MET 3482/4885KDM4E 3825/4885
US-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS REL, NFATC1, BCL6 NOS1 2318/4885MET 3578/4885KDM4E 1015/4885
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders REL, NFATC1, BCL6 NOS1 2318/4885MET 3578/4885KDM4E 1015/4885

“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.