SCHEMBL428774

SCHEMBL428774

Cc1cccc(C=NNc2cc(N3CCSC3)nc(OCCN3CCOCC3)n2)c1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIKFYVE Q9Y2I7 9/20 0.64
FES P07332 1/20 0.64
FER P16591 1/20 0.64
TYK2 P29597 1/20 0.64
FRK P42685 1/20 0.64
SYK P43405 1/20 0.64
CAMK1D Q8IU85 1/20 0.64
IRAK4 Q9NWZ3 1/20 0.64
KDM4E B2RXH2 5/20 0.57
MAPT P10636 4/20 0.57
LMNA P02545 3/20 0.57
HPGD P15428 1/20 0.57
ALDH1A1 P00352 1/20 0.47
SENP7 Q9BQF6 1/20 0.47
SENP6 Q9GZR1 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.46
NPC1 O15118 1/20 0.42
RAB9A P51151 1/20 0.42
MEN1 O00255 1/20 0.40
NSD2 O96028 1/20 0.40

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
SCHEMBL428773 1.00 PIKFYVE (0.64) PIKFYVEFESFERTYK2FRK
SCHEMBL3081121 0.91 PIKFYVE (0.76) PIKFYVEFESFERTYK2FRK
SCHEMBL3081115 0.91 PIKFYVE (0.76) PIKFYVEFESFERTYK2FRK
SCHEMBL429111 0.87 KDM4E (0.48) PIKFYVEFESFERTYK2FRK
SCHEMBL429112 0.87 KDM4E (0.48) PIKFYVEFESFERTYK2FRK
SCHEMBL423658 0.87 MAPT (0.50) PIKFYVEFESFERTYK2FRK
SCHEMBL423657 0.87 MAPT (0.50) PIKFYVEFESFERTYK2FRK
SCHEMBL424457 0.86 PIKFYVE (0.55) PIKFYVEFESFERTYK2FRK
SCHEMBL424458 0.86 PIKFYVE (0.55) PIKFYVEFESFERTYK2FRK
SCHEMBL16844677 0.84 FES (0.46) PIKFYVEFESFERTYK2FRK

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
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-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

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 PIKFYVE 1824/4885FES 2650/4885FER 3265/4885
US-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS REL, NFATC1, BCL6 PIKFYVE 4150/4885FES 4592/4885FER 2503/4885
US-20060122156-A1 Heteroaryl compounds IL2, CCL11, IL4 PIKFYVE 2468/4885FES 2499/4885FER 1817/4885
US-20090163708-A1 PROCESS FOR PREPARING MESYLATE SALTS OF IL-12 INHIBITORY COMPOUNDS IL17A, IL23R, IL2 PIKFYVE 2941/4885FES 1524/4885FER 2106/4885
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders REL, NFATC1, BCL6 PIKFYVE 4150/4885FES 4592/4885FER 2503/4885

“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.