SCHEMBL425829

SCHEMBL425829

COCCN(C)c1cc(C(=NN)c2cc(C)ccc2O)nc(OCCN2CCOCC2)n1

nearest known ligand 0.38

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
ACHE P22303 1/20 0.37
SYK P43405 1/20 0.36
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
PIK3CA P42336 4/20 0.34
RAF1 P04049 1/20 0.33
BRAF P15056 1/20 0.33
MET P08581 1/20 0.33
CNR1 P21554 1/20 0.33
CNR2 P34972 1/20 0.33
SMN1; SMN2 Q16637 1/20 0.33
POLB P06746 2/20 0.32
SIGMAR1 Q99720 1/20 0.32
CA12 O43570 1/20 0.32
CA1 P00915 1/20 0.32
CA2 P00918 1/20 0.32
CA7 P43166 1/20 0.32
CA9 Q16790 1/20 0.32

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
SCHEMBL425197 0.90 ACHE (0.38) ACHESYKNPC1METPOLB
SCHEMBL427677 0.87 ACHE (0.39) ACHESYKNPC1METPOLB
SCHEMBL430706 0.84 ACHE (0.39) ACHESYKNPC1POLBCA12
SCHEMBL428802 0.80 CYP2D6 (0.44) ACHESYKMETPOLBCA12
SCHEMBL5798773 0.80 ACHE (0.40) ACHESYKPIK3CACNR1CNR2
SCHEMBL425828 0.77 SYK (0.40) ACHESYKNPC1RAB9APOLB
SCHEMBL425827 0.77 SYK (0.40) ACHESYKNPC1RAB9APOLB
SCHEMBL430595 0.76 SIGMAR1 (0.39) ACHESYKPOLBSIGMAR1
SCHEMBL430597 0.76 SIGMAR1 (0.39) ACHESYKPOLBSIGMAR1
SCHEMBL13759280 0.72 SYK (0.41) ACHESYKNPC1POLBSIGMAR1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-7919487-B2 Heteroaryl compounds SYNTA PHARMACEUTICALS CORPORATION (US) 2011-04-05 US claimed
US-20060122156-A1 Heteroaryl compounds SYNTA PHARMACEUTICALS CORP. (US) 2006-06-08 US claimed
US-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS SYNTA PHARMACEUTICALS CORP (US) 2015-06-25 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-7919487-B2 Heteroaryl compounds SYNTA PHARMACEUTICALS CORPORATION (US) 2011-04-05 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
US-20060122156-A1 Heteroaryl compounds SYNTA PHARMACEUTICALS CORP. (US) 2006-06-08 US disclosed
WO-2006053109-A1 HETEROARYL COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2006-05-18 WO 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-20110098267-A1 TOPICAL FORMULATIONS FOR THE TREATMENT OF PSORIASIS IL17A, IL23R, IL15 ACHE 4700/4885SYK 1106/4885NPC1 1062/4885
US-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS REL, NFATC1, BCL6 ACHE 3732/4885SYK 737/4885NPC1 2090/4885
US-20060122156-A1 Heteroaryl compounds IL2, CCL11, IL4 ACHE 3465/4885SYK 739/4885NPC1 947/4885
US-20090163708-A1 PROCESS FOR PREPARING MESYLATE SALTS OF IL-12 INHIBITORY COMPOUNDS IL17A, IL23R, IL2 ACHE 4850/4885SYK 550/4885NPC1 3577/4885
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders REL, NFATC1, BCL6 ACHE 3732/4885SYK 737/4885NPC1 2090/4885

“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.