SCHEMBL3109308

SCHEMBL3109308

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

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HTT P42858 3/20 0.53
HSD17B10 Q99714 2/20 0.53
LMNA P02545 1/20 0.53
POLB P06746 1/20 0.53
GPR55 Q9Y2T6 1/20 0.53
TYK2 P29597 2/20 0.52
SYK P43405 2/20 0.52
IRAK4 Q9NWZ3 2/20 0.52
BRSK1 Q8TDC3 1/20 0.52
PIK3CA P42336 5/20 0.52
PIK3CB P42338 4/20 0.52
PIK3CG P48736 3/20 0.52
FES P07332 1/20 0.43
FER P16591 1/20 0.43
FRK P42685 1/20 0.43
CAMK1D Q8IU85 1/20 0.43
PIKFYVE Q9Y2I7 1/20 0.43
NAPEPLD Q6IQ20 2/20 0.41
KDM4E B2RXH2 4/20 0.40
ALDH1A1 P00352 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
SCHEMBL3117453 0.91 PIK3CA (0.52) HTTHSD17B10LMNAPOLBGPR55
SCHEMBL3109313 0.84 TYK2 (0.56) HSD17B10TYK2SYKIRAK4BRSK1
SCHEMBL1617193 0.84 TYK2 (0.53) TYK2SYKIRAK4BRSK1PIK3CA
SCHEMBL426412 0.83 PIK3CA (0.45) LMNATYK2SYKIRAK4BRSK1
SCHEMBL5483800 0.83 PIK3CA (0.47) LMNATYK2SYKIRAK4BRSK1
SCHEMBL3110587 0.83 TYK2 (0.68) HTTHSD17B10LMNAPOLBGPR55
SCHEMBL426413 0.82 PIK3CA (0.47) HTTHSD17B10LMNAPOLBTYK2
SCHEMBL431043 0.81 TYK2 (0.48) TYK2SYKIRAK4BRSK1PIK3CA
SCHEMBL425757 0.81 PIK3CA (0.46) TYK2SYKIRAK4BRSK1PIK3CA
SCHEMBL428720 0.81 TYK2 (0.49) HTTLMNAPOLBTYK2SYK

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 15 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
EP-1819341-A2 IL-12 MODULATORY COMPOUNDS Synta Pharmaceuticals Corporation (US) 2007-08-22 EP claimed
US-20060223996-A1 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2006-10-05 US claimed
WO-2006053227-A2 IL-12 MODULATORY 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-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 HTT 2733/4885HSD17B10 1025/4885LMNA 4101/4885
US-20150174132-A1 METHOD FOR TREATING B CELL REGULATED AUTOIMMUNE DISORDERS REL, NFATC1, BCL6 HTT 4184/4885HSD17B10 3453/4885LMNA 3579/4885
US-20090163708-A1 PROCESS FOR PREPARING MESYLATE SALTS OF IL-12 INHIBITORY COMPOUNDS IL17A, IL23R, IL2 HTT 3216/4885HSD17B10 1169/4885LMNA 3835/4885
US-20070032493-A1 Method for treating B cell regulated autoimmune disorders REL, NFATC1, BCL6 HTT 4184/4885HSD17B10 3453/4885LMNA 3579/4885
US-20100256132-A1 IL-12 MODULATORY COMPOUNDS IL2, IL4, IFNG HTT 2733/4885HSD17B10 1025/4885LMNA 4101/4885

“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.