SCHEMBL428802

SCHEMBL428802

Cc1ccc(O)c(C(=NN)c2cc(-n3ccnc3)nc(OCCN3CCOCC3)n2)c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CYP2D6 P10635 3/20 0.44
CYP2C9 P11712 3/20 0.44
CYP1A2 P05177 2/20 0.44
CYP2C19 P33261 2/20 0.44
CYP3A4 P08684 2/20 0.44
ACHE P22303 1/20 0.35
SYK P43405 1/20 0.35
CD38 P28907 2/20 0.33
MET P08581 2/20 0.33
KIT P10721 1/20 0.33
KDR P35968 1/20 0.33
FLT3 P36888 1/20 0.33
POLB P06746 1/20 0.33
MAPK13 O15264 1/20 0.33
MAPK9 P45984 1/20 0.33
MAPK12 P53778 1/20 0.33
MAPK11 Q15759 1/20 0.33
MAPK14 Q16539 1/20 0.33
HSP90AA1 P07900 1/20 0.33
HSP90AB1 P08238 1/20 0.33

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
SCHEMBL430706 0.85 ACHE (0.39) ACHESYKKITKDRFLT3
SCHEMBL427677 0.83 ACHE (0.39) CYP2D6CYP2C9CYP3A4ACHESYK
SCHEMBL425197 0.83 ACHE (0.38) ACHESYKMETKDRFLT3
SCHEMBL425829 0.80 ACHE (0.37) ACHESYKMETPOLBCA12
SCHEMBL5798773 0.80 ACHE (0.40) ACHESYKPOLBMAOA
SCHEMBL428800 0.78 FES (0.47) CYP2D6CYP2C9CYP1A2CYP2C19CYP3A4
SCHEMBL428801 0.78 FES (0.47) CYP2D6CYP2C9CYP1A2CYP2C19CYP3A4
SCHEMBL10197247 0.78 FES (0.47) CYP2D6CYP2C9CYP1A2CYP2C19CYP3A4
SCHEMBL430595 0.77 SIGMAR1 (0.39) ACHESYKPOLBHSP90AA1HSP90AB1
SCHEMBL430597 0.77 SIGMAR1 (0.39) ACHESYKPOLBHSP90AA1HSP90AB1

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 CYP2D6 1892/4885CYP2C9 1934/4885CYP1A2 443/4885
US-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS REL, NFATC1, BCL6 CYP2D6 4828/4885CYP2C9 4880/4885CYP1A2 4750/4885
US-20060122156-A1 Heteroaryl compounds IL2, CCL11, IL4 CYP2D6 317/4885CYP2C9 449/4885CYP1A2 115/4885
US-20090163708-A1 PROCESS FOR PREPARING MESYLATE SALTS OF IL-12 INHIBITORY COMPOUNDS IL17A, IL23R, IL2 CYP2D6 879/4885CYP2C9 322/4885CYP1A2 253/4885
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders REL, NFATC1, BCL6 CYP2D6 4828/4885CYP2C9 4880/4885CYP1A2 4750/4885

“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.