SCHEMBL3108523

SCHEMBL3108523

Cc1cccc(NC(=O)Nc2cc(OCCN(C)C(=O)OC(C)(C)C)nc(N3CCOCC3)n2)c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 1/20 0.41
KMT2A Q03164 1/20 0.41
PIK3CA P42336 10/20 0.41
MTOR P42345 10/20 0.41
TP53 P04637 1/20 0.41
POLB P06746 1/20 0.41
MAPT P10636 1/20 0.41
PIK3CG P48736 6/20 0.41
PIK3CB P42338 2/20 0.41
PIK3CD O00329 1/20 0.41
AKT1 P31749 1/20 0.41
KDM4E B2RXH2 2/20 0.41
ALDH1A1 P00352 2/20 0.41
HTT P42858 1/20 0.41
CYP3A4 P08684 1/20 0.40
CYP2C9 P11712 1/20 0.40
GBA1 P04062 2/20 0.40
NPC1 O15118 1/20 0.39
MAPK1 P28482 1/20 0.39
RAB9A P51151 1/20 0.39

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
SCHEMBL428259 0.83 TSHR (0.52) MEN1KMT2APIK3CATP53POLB
SCHEMBL429989 0.83 TP53 (0.47) MEN1KMT2APIK3CAMTORTP53
SCHEMBL430522 0.83 CYP3A4 (0.49) MEN1KMT2APIK3CAMTORTP53
SCHEMBL3118679 0.82 PIK3R1 (0.41) MEN1KMT2APIK3CAPIK3CBPIK3CD
SCHEMBL3114835 0.80 MEN1 (0.44) MEN1KMT2APIK3CAMTORTP53
SCHEMBL429014 0.80 TYK2 (0.49) MEN1KMT2APIK3CAMTORTP53
SCHEMBL14530054 0.80 KDR (0.52) ALDH1A1SMN1; SMN2
SCHEMBL3115454 0.78 PIK3CA (0.39) MEN1KMT2APIK3CAMTORPIK3CG
SCHEMBL3108283 0.78 PIK3CA (0.42) PIK3CAPIK3CBPIK3CDMAPK1SMN1; SMN2
SCHEMBL13759006 0.75 ALDH1A1 (0.48) MEN1KMT2AMAPTALDH1A1HTT

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 6 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-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 MEN1 4303/4885KMT2A 3672/4885PIK3CA 2810/4885
US-20100256132-A1 IL-12 MODULATORY COMPOUNDS IL2, IL4, IFNG MEN1 4303/4885KMT2A 3672/4885PIK3CA 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.