SCHEMBL3100746

SCHEMBL3100746

O=C(O)c1cc(N2CCOCC2)nc(OCCc2ccccn2)n1

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 2/20 0.67
SYK P43405 2/20 0.67
IRAK4 Q9NWZ3 2/20 0.67
BRSK1 Q8TDC3 1/20 0.67
FES P07332 1/20 0.54
FER P16591 1/20 0.54
FRK P42685 1/20 0.54
CAMK1D Q8IU85 1/20 0.54
PIKFYVE Q9Y2I7 1/20 0.54
PIK3CA P42336 10/20 0.53
NAPEPLD Q6IQ20 2/20 0.49
KMO O15229 1/20 0.46
PIK3CB P42338 2/20 0.46
PIK3CG P48736 1/20 0.46
FFAR1 O14842 1/20 0.45
PKM P14618 1/20 0.45
KDM4E B2RXH2 1/20 0.43
ALDH1A1 P00352 1/20 0.43
LMNA P02545 1/20 0.43
MTOR P42345 1/20 0.43

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
SCHEMBL3110587 0.91 TYK2 (0.68) TYK2SYKIRAK4BRSK1FES
SCHEMBL1880231 0.89 TYK2 (0.66) TYK2SYKIRAK4BRSK1FES
SCHEMBL12634088 0.84 TYK2 (0.70) TYK2SYKIRAK4BRSK1FES
SCHEMBL11929833 0.83 TYK2 (0.72) TYK2SYKIRAK4BRSK1FES
SCHEMBL30273129 0.83 TYK2 (0.72) TYK2SYKIRAK4BRSK1FES
SCHEMBL3110596 0.83 TYK2 (0.75) TYK2SYKIRAK4BRSK1FES
SCHEMBL1617807 0.83 TYK2 (0.72) TYK2SYKIRAK4BRSK1FES
SCHEMBL3117453 0.82 PIK3CA (0.52) TYK2SYKIRAK4BRSK1FES
SCHEMBL1877075 0.82 TYK2 (0.68) TYK2SYKIRAK4BRSK1FES
SCHEMBL427148 0.82 TYK2 (0.62) 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 13 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8236795-B2 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2012-08-07 US claimed
US-20100256132-A1 IL-12 MODULATORY COMPOUNDS SYNTA PHARMACEUTICALS CORPORATION (US) 2010-10-07 US claimed
US-7696202-B2 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2010-04-13 US claimed
US-20060223996-A1 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2006-10-05 US claimed
US-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS SYNTA PHARMACEUTICALS CORP (US) 2015-06-25 US disclosed
US-8236795-B2 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2012-08-07 US disclosed
US-20100256132-A1 IL-12 MODULATORY COMPOUNDS SYNTA PHARMACEUTICALS CORPORATION (US) 2010-10-07 US disclosed
US-7696202-B2 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2010-04-13 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-1819341-A2 IL-12 MODULATORY COMPOUNDS Synta Pharmaceuticals Corporation (US) 2007-08-22 EP disclosed
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders SYNTA PHARMACEUTICALS CORP. (US) 2007-02-08 US disclosed
US-20060223996-A1 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2006-10-05 US disclosed
WO-2006053227-A2 IL-12 MODULATORY 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-20060223996-A1 IL-12 modulatory compounds IL2, IL4, IFNG TYK2 1186/4885SYK 1075/4885IRAK4 55/4885
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
US-20100256132-A1 IL-12 MODULATORY COMPOUNDS IL2, IL4, IFNG TYK2 1186/4885SYK 1075/4885IRAK4 55/4885

“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.