SCHEMBL3118285

SCHEMBL3118285

Cc1cccc(NC(=O)CNc2cc(C(=O)O)nc(N3CCOCC3)n2)c1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AKT1 P31749 2/20 0.55
▸ PIK3CD O00329 1/20 0.55
▸ PIK3CA P42336 1/20 0.55
▸ PIK3CB P42338 1/20 0.55
▸ PIK3CG P48736 1/20 0.55
▸ TSHR P16473 2/20 0.51
▸ MAPT P10636 2/20 0.50
▸ TP53 P04637 1/20 0.50
▸ POLB P06746 1/20 0.50
▸ KMT2A Q03164 3/20 0.49
▸ MEN1 O00255 2/20 0.49
▸ GBA1 P04062 1/20 0.49
▸ ALDH1A1 P00352 3/20 0.48
▸ KDM4E B2RXH2 2/20 0.48
▸ HIF1A Q16665 1/20 0.48
▸ HTT P42858 1/20 0.46
▸ DRD2 P14416 2/20 0.46
▸ DRD4 P21917 2/20 0.46
▸ DRD3 P35462 2/20 0.46
▸ PKM P14618 1/20 0.45

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
SCHEMBL11926293 0.83 PIK3CD (0.48) AKT1PIK3CDPIK3CAPIK3CBPIK3CG
SCHEMBL3105225 0.80 KDM4E (0.49) PIK3CAPIK3CGPOLBKMT2AMEN1
SCHEMBL3105933 0.77 PIK3CA (0.50) PIK3CAPIK3CBPOLBKMT2AMEN1
SCHEMBL3100682 0.77 PIK3CA (0.52) PIK3CAPIK3CBKMT2AMEN1ALDH1A1
SCHEMBL3103765 0.76 ALDH1A1 (0.46) PIK3CAPOLBKMT2AMEN1ALDH1A1
SCHEMBL3108560 0.76 PIK3CA (0.52) PIK3CATSHRALDH1A1KDM4E
SCHEMBL3114918 0.75 ALDH1A1 (0.42) PIK3CAPIK3CBTSHRALDH1A1KDM4E
SCHEMBL3111878 0.74 ALDH1A1 (0.45) PIK3CAPOLBKMT2AMEN1ALDH1A1
SCHEMBL3116623 0.74 PIK3CA (0.47) PIK3CDPIK3CAPIK3CBPIK3CGKMT2A
SCHEMBL3117501 0.74 ALDH1A1 (0.45) PIK3CAPIK3CGKMT2AMEN1ALDH1A1

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 8 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
US-20060223996-A1 IL-12 modulatory compounds SYNTA PHARMACEUTICALS CORP. (US) 2006-10-05 — — US 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 AKT1 1094/4885PIK3CD 1632/4885PIK3CA 2810/4885
US-20100256132-A1 IL-12 MODULATORY COMPOUNDS IL2, IL4, IFNG AKT1 1094/4885PIK3CD 1632/4885PIK3CA 2810/4885

“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.

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