SCHEMBL3107301

SCHEMBL3107301

NCCOc1cc(C(=O)O)nc(N2CCOCC2)n1

nearest known ligand 0.46

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 14/20 0.46
POLB P06746 2/20 0.46
HTT P42858 2/20 0.46
LMNA P02545 1/20 0.46
HSD17B10 Q99714 1/20 0.46
GPR55 Q9Y2T6 1/20 0.46
KMO O15229 1/20 0.44
KDM4E B2RXH2 1/20 0.42
MAPK1 P28482 1/20 0.41
PIK3R1 P27986 2/20 0.41
PIK3CD O00329 1/20 0.41
PIK3CB P42338 1/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 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
SCHEMBL3102993 0.89 PIK3CA (0.48) PIK3CAPOLBHTTLMNAHSD17B10
SCHEMBL3106043 0.87 KMO (0.46) PIK3CAPOLBHTTKMOKDM4E
SCHEMBL3113861 0.87 PIK3CA (0.59) PIK3CA
SCHEMBL3120773 0.85 KDM4E (0.48) PIK3CAKDM4ECYP3A4CYP2C9
SCHEMBL3110537 0.84 PIK3CA (0.45) PIK3CAPOLBHTTLMNAHSD17B10
SCHEMBL3239784 0.84 PIK3CA (0.42) PIK3CAPOLBHTTLMNAHSD17B10
SCHEMBL3114681 0.84 AKT1 (0.45) PIK3CAPOLBHTTLMNAHSD17B10
SCHEMBL3113259 0.81 LRRK2 (0.41) PIK3CAPOLBHTTLMNAHSD17B10
SCHEMBL6079401 0.81 KDM4E (0.44) PIK3CAPOLBHTTLMNAHSD17B10
SCHEMBL3113677 0.81 LMNA (0.51) PIK3CAPOLBHTTLMNAHSD17B10

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-20100256132-A1 IL-12 MODULATORY COMPOUNDS SYNTA PHARMACEUTICALS CORPORATION (US) 2010-10-07 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-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
EP-1819341-A2 IL-12 MODULATORY COMPOUNDS Synta Pharmaceuticals Corporation (US) 2007-08-22 EP 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 (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-20060223996-A1 IL-12 modulatory compounds IL2, IL4, IFNG PIK3CA 2810/4885POLB 3816/4885HTT 2733/4885
US-20100256132-A1 IL-12 MODULATORY COMPOUNDS IL2, IL4, IFNG PIK3CA 2810/4885POLB 3816/4885HTT 2733/4885

“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.