SCHEMBL423745

SCHEMBL423745

Cc1[nH]c2cc(Nc3cc(N4CCSC4)nc(OCCN4CCOCC4)n3)ccc2c1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AURKA O14965 2/20 0.39
CCNA2 P20248 1/20 0.39
CDK2 P24941 1/20 0.39
TTK P33981 1/20 0.39
AURKB Q96GD4 1/20 0.39
MAOA P21397 1/20 0.39
GRM4 Q14833 4/20 0.37
P2RY12 Q9H244 1/20 0.36
PRKCQ Q04759 3/20 0.36
ACHE P22303 1/20 0.35
KIT P10721 2/20 0.35
FLT3 P36888 2/20 0.35
RET P07949 1/20 0.34
ABL1 P00519 1/20 0.34
BCR P11274 1/20 0.34
PRKCD Q05655 1/20 0.34
TERT O14746 1/20 0.34
CYP3A4 P08684 1/20 0.34
CYP2D6 P10635 1/20 0.34
CYP2C9 P11712 1/20 0.34

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
SCHEMBL16844677 0.85 FES (0.46) MAOATYK2SYKIRAK4
SCHEMBL13759374 0.82 ABL1 (0.45) AURKACCNA2CDK2TTKAURKB
SCHEMBL430839 0.80 GRM4 (0.42) GRM4P2RY12TERT
SCHEMBL13759184 0.79 AURKA (0.44) AURKACCNA2CDK2TTKAURKB
SCHEMBL430725 0.78 AURKA (0.43) AURKACCNA2CDK2TTKAURKB
SCHEMBL428542 0.77 AURKA (0.46) AURKACCNA2CDK2TTKAURKB
SCHEMBL460359 0.77 AURKA (0.42) AURKACCNA2CDK2TTKAURKB
SCHEMBL13759072 0.77 AURKA (0.42) AURKACCNA2CDK2TTKAURKB
SCHEMBL425180 0.76 AURKA (0.42) AURKACCNA2CDK2TTKAURKB
SCHEMBL431355 0.76 SYK (0.46) AURKACCNA2CDK2TTKAURKB

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 19 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
WO-2006053109-A1 HETEROARYL COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2006-05-18 WO 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-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-7919487-B2 Heteroaryl compounds SYNTA PHARMACEUTICALS CORPORATION (US) 2011-04-05 US disclosed
US-7919487-B2 Heteroaryl compounds SYNTA PHARMACEUTICALS CORPORATION (US) 2011-04-05 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-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
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-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 AURKA 4145/4885CCNA2 2247/4885CDK2 2901/4885
US-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS REL, NFATC1, BCL6 AURKA 4825/4885CCNA2 2248/4885CDK2 3233/4885
US-20060122156-A1 Heteroaryl compounds IL2, CCL11, IL4 AURKA 3229/4885CCNA2 752/4885CDK2 711/4885
US-20090163708-A1 PROCESS FOR PREPARING MESYLATE SALTS OF IL-12 INHIBITORY COMPOUNDS IL17A, IL23R, IL2 AURKA 3139/4885CCNA2 1953/4885CDK2 1737/4885
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders REL, NFATC1, BCL6 AURKA 4825/4885CCNA2 2248/4885CDK2 3233/4885

“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.