SCHEMBL427015

SCHEMBL427015

CNC(=O)c1cccc(/C(=N\N)c2cc(N3CCOCC3)nc(OCCc3ccccn3)n2)c1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 2/20 0.56
SYK P43405 2/20 0.56
IRAK4 Q9NWZ3 2/20 0.56
BRSK1 Q8TDC3 1/20 0.56
FES P07332 1/20 0.51
FER P16591 1/20 0.51
FRK P42685 1/20 0.51
CAMK1D Q8IU85 1/20 0.51
PIKFYVE Q9Y2I7 1/20 0.51
NAPEPLD Q6IQ20 2/20 0.45
PIK3CA P42336 9/20 0.44
PIK3CB P42338 3/20 0.42
ATR Q13535 1/20 0.41
ATRIP Q8WXE1 1/20 0.41
PIK3CD O00329 1/20 0.40
PIK3CG P48736 1/20 0.40
NPC1 O15118 1/20 0.40
RAF1 P04049 1/20 0.39
BRAF P15056 1/20 0.39
MTOR P42345 1/20 0.39

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
SCHEMBL427017 1.00 TYK2 (0.56) TYK2SYKIRAK4BRSK1FES
SCHEMBL428624 0.92 TYK2 (0.56) TYK2SYKIRAK4BRSK1FES
SCHEMBL425076 0.86 TYK2 (0.56) TYK2SYKIRAK4BRSK1FES
SCHEMBL10195936 0.80 TYK2 (0.76) TYK2SYKIRAK4BRSK1FES
SCHEMBL427016 0.80 TYK2 (0.76) TYK2SYKIRAK4BRSK1FES
SCHEMBL1880231 0.80 TYK2 (0.66) TYK2SYKIRAK4BRSK1FES
SCHEMBL3110587 0.80 TYK2 (0.68) TYK2SYKIRAK4BRSK1FES
SCHEMBL3100746 0.79 TYK2 (0.67) TYK2SYKIRAK4BRSK1FES
SCHEMBL427148 0.77 TYK2 (0.62) TYK2SYKIRAK4BRSK1FES
SCHEMBL302070 0.76 TYK2 (0.43) TYK2SYKIRAK4BRSK1FES

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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-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

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 TYK2 826/4885SYK 1106/4885IRAK4 381/4885
US-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS REL, NFATC1, BCL6 TYK2 2464/4885SYK 737/4885IRAK4 660/4885
US-20090163708-A1 PROCESS FOR PREPARING MESYLATE SALTS OF IL-12 INHIBITORY COMPOUNDS IL17A, IL23R, IL2 TYK2 1275/4885SYK 550/4885IRAK4 120/4885
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders REL, NFATC1, BCL6 TYK2 2464/4885SYK 737/4885IRAK4 660/4885

“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.