SCHEMBL301991

SCHEMBL301991

Cc1ccc(N)c(NN=Cc2cc(N3CCOCC3)cc(OCCc3ccccn3)n2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 3/20 0.53
TYK2 P29597 2/20 0.53
SYK P43405 2/20 0.53
FES P07332 1/20 0.53
FER P16591 1/20 0.53
FRK P42685 1/20 0.53
CAMK1D Q8IU85 1/20 0.53
PIKFYVE Q9Y2I7 1/20 0.53
BRSK1 Q8TDC3 1/20 0.44
MAPT P10636 8/20 0.39
ALDH1A1 P00352 3/20 0.39
NPC1 O15118 3/20 0.39
RAB9A P51151 3/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
MEN1 O00255 2/20 0.39
KMT2A Q03164 2/20 0.39
L3MBTL1 Q9Y468 2/20 0.39
MAPK1 P28482 1/20 0.39
KDM4E B2RXH2 4/20 0.38
GAA P10253 3/20 0.38

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
SCHEMBL10198882 1.00 IRAK4 (0.53) IRAK4TYK2SYKFESFER
SCHEMBL301990 1.00 IRAK4 (0.53) IRAK4TYK2SYKFESFER
SCHEMBL16822429 0.89 TYK2 (0.52) IRAK4TYK2SYKFESFER
SCHEMBL16822428 0.89 TYK2 (0.52) IRAK4TYK2SYKFESFER
SCHEMBL10196781 0.87 PIKFYVE (0.58) IRAK4TYK2SYKFESFER
SCHEMBL430895 0.87 PIKFYVE (0.58) IRAK4TYK2SYKFESFER
SCHEMBL430894 0.87 PIKFYVE (0.58) IRAK4TYK2SYKFESFER
SCHEMBL302233 0.87 TYK2 (0.66) IRAK4TYK2SYKFESFER
SCHEMBL302234 0.87 TYK2 (0.66) IRAK4TYK2SYKFESFER
SCHEMBL303086 0.86 TYK2 (0.59) IRAK4TYK2SYKFESFER

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4851337-B2 2012-01-11 JP claimed
US-7935698-B2 Heteroaryl-hydrazone compounds SYNTA PHARMACEUTICALS CORPORATION (US) 2011-05-03 US claimed
EP-1689403-A4 HETEROARYL-HYDRAZONE COMPOUNDS SYNTA PHARMACEUTICALS CORP (US) 2007-09-05 EP claimed
JP-2007510748-A 2007-04-26 JP claimed
EP-1689403-A2 HETEROARYL-HYDRAZONE COMPOUNDS Synta Pharmaceuticals Corporation (US) 2006-08-16 EP claimed
US-20050282809-A1 Heteroaryl-hydrazone compounds LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2005-12-22 US claimed
WO-2005046604-A2 HETEROARYL-HYDRAZONE COMPOUNDS SYNTA PHARMACEUTICALS, CORP. (US) 2005-05-26 WO claimed
US-20120021434-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS SYNTA PHARMACEUTICALS CORP. (US) 2012-01-26 US disclosed
US-7935698-B2 Heteroaryl-hydrazone compounds SYNTA PHARMACEUTICALS CORPORATION (US) 2011-05-03 US disclosed
US-20110098267-A1 TOPICAL FORMULATIONS FOR THE TREATMENT OF PSORIASIS SYNTA PHARMACEUTICALS CORPORATION (US) 2011-04-28 US disclosed
US-20090163708-A1 PROCESS FOR PREPARING MESYLATE SALTS OF IL-12 INHIBITORY COMPOUNDS SYNTA PHARMACEUTICALS CORP. (US) 2009-06-25 US disclosed
EP-1689403-A4 HETEROARYL-HYDRAZONE COMPOUNDS SYNTA PHARMACEUTICALS CORP (US) 2007-09-05 EP disclosed
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders SYNTA PHARMACEUTICALS CORP. (US) 2007-02-08 US disclosed
EP-1689403-A2 HETEROARYL-HYDRAZONE COMPOUNDS Synta Pharmaceuticals Corporation (US) 2006-08-16 EP disclosed
US-20050282809-A1 Heteroaryl-hydrazone compounds LSI FINANCING LLC, AS ADMINISTRATIVE AGENT 2005-12-22 US disclosed
WO-2005046604-A2 HETEROARYL-HYDRAZONE COMPOUNDS SYNTA PHARMACEUTICALS, CORP. (US) 2005-05-26 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 (4 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 IRAK4 381/4885TYK2 826/4885SYK 1106/4885
US-20050282809-A1 Heteroaryl-hydrazone compounds MMP12, IL1RN, CASP12 IRAK4 639/4885TYK2 3469/4885SYK 3362/4885
US-20090163708-A1 PROCESS FOR PREPARING MESYLATE SALTS OF IL-12 INHIBITORY COMPOUNDS IL17A, IL23R, IL2 IRAK4 120/4885TYK2 1275/4885SYK 550/4885
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders REL, NFATC1, BCL6 IRAK4 660/4885TYK2 2464/4885SYK 737/4885

“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.