SCHEMBL1880231

SCHEMBL1880231

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

nearest known ligand 0.66

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
TYK2 P29597 2/20 0.66
SYK P43405 2/20 0.66
IRAK4 Q9NWZ3 2/20 0.66
BRSK1 Q8TDC3 1/20 0.66
FES P07332 1/20 0.56
FER P16591 1/20 0.56
FRK P42685 1/20 0.56
CAMK1D Q8IU85 1/20 0.56
PIKFYVE Q9Y2I7 1/20 0.56
NAPEPLD Q6IQ20 6/20 0.53
PIK3CA P42336 10/20 0.51
PIK3CB P42338 4/20 0.46
PIK3CG P48736 1/20 0.46
PIK3CD O00329 1/20 0.44

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
SCHEMBL3100746 0.89 TYK2 (0.67) TYK2SYKIRAK4BRSK1FES
SCHEMBL3110587 0.88 TYK2 (0.68) TYK2SYKIRAK4BRSK1FES
SCHEMBL428624 0.86 TYK2 (0.56) TYK2SYKIRAK4BRSK1FES
SCHEMBL427148 0.83 TYK2 (0.62) TYK2SYKIRAK4BRSK1FES
SCHEMBL11929833 0.82 TYK2 (0.72) TYK2SYKIRAK4BRSK1FES
SCHEMBL428778 0.82 TYK2 (0.60) TYK2SYKIRAK4BRSK1FES
SCHEMBL12634088 0.81 TYK2 (0.70) TYK2SYKIRAK4BRSK1FES
SCHEMBL3121609 0.80 PIK3CA (0.44) SYKNAPEPLDPIK3CAPIK3CB
SCHEMBL3110596 0.80 TYK2 (0.75) TYK2SYKIRAK4BRSK1FES
SCHEMBL30273129 0.80 TYK2 (0.72) 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 10 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 disclosed
US-7935698-B2 Heteroaryl-hydrazone compounds SYNTA PHARMACEUTICALS CORPORATION (US) 2011-05-03 US disclosed
US-7935698-B2 Heteroaryl-hydrazone compounds SYNTA PHARMACEUTICALS CORPORATION (US) 2011-05-03 US disclosed
US-7935698-B2 Heteroaryl-hydrazone compounds SYNTA PHARMACEUTICALS CORPORATION (US) 2011-05-03 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
EP-1689403-A4 HETEROARYL-HYDRAZONE COMPOUNDS SYNTA PHARMACEUTICALS CORP (US) 2007-09-05 EP 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 (2 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-20050282809-A1 Heteroaryl-hydrazone compounds MMP12, IL1RN, CASP12 TYK2 3469/4885SYK 3362/4885IRAK4 639/4885
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.