SCHEMBL3665136

SCHEMBL3665136

COc1ccc(OCc2nccc(-c3sc(C(N)=O)nc3C)n2)cc1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IKBKB O14920 1/20 0.42
ROCK1 Q13464 2/20 0.39
DYRK1A Q13627 1/20 0.39
PPARD Q03181 1/20 0.38
PIK3CA P42336 2/20 0.38
MAPT P10636 5/20 0.38
GAA P10253 3/20 0.38
NPC1 O15118 2/20 0.37
HSP90AA1 P07900 1/20 0.37
RAB9A P51151 1/20 0.37
ALDH1A1 P00352 2/20 0.37
LMNA P02545 1/20 0.37
HPGD P15428 1/20 0.37
MEN1 O00255 2/20 0.37
MKNK2 Q9HBH9 3/20 0.37
TSHR P16473 1/20 0.36
KMT2A Q03164 1/20 0.36
HSD17B10 Q99714 1/20 0.36
TDP1 Q9NUW8 1/20 0.36
CDK4 P11802 1/20 0.36

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
SCHEMBL3665996 0.88 PIK3CA (0.40) ROCK1DYRK1APIK3CAMAPTMKNK2
SCHEMBL1939108 0.83 MEN1 (0.50) ROCK1DYRK1AMAPTGAANPC1
SCHEMBL3663885 0.81 CDK4 (0.43) ROCK1DYRK1APIK3CAMAPTGAA
SCHEMBL3665081 0.79 PIK3CA (0.39) ROCK1DYRK1APIK3CAMAPTGAA
SCHEMBL3664119 0.78 CDK4 (0.40) IKBKBROCK1DYRK1APIK3CAMAPT
SCHEMBL3231028 0.76 PIK3CA (0.56) ROCK1DYRK1APIK3CACDK4CCNE1
SCHEMBL3669248 0.76 PIK3CA (0.46) ROCK1DYRK1APIK3CAMAPTGAA
SCHEMBL3661249 0.76 KDM4E (0.49) PIK3CAGAARAB9ACDK4CCNE1
SCHEMBL3665415 0.74 DGAT1 (0.41) ROCK1DYRK1APIK3CAMAPTGAA
SCHEMBL13781837 0.74 PIK3CA (0.75) PIK3CA

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 5 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8940771-B2 Organic compounds NOVARTIS AG (CH) 2015-01-27 US disclosed
EP-2240475-B1 THIAZOLE DERIVATIVES USED AS PI 3 KINASE INHIBITORS NOVARTIS AG (CH) 2013-09-25 EP disclosed
EP-2240475-A1 THIAZOLE DERIVATIVES USED AS PI 3 KINASE INHIBITORS Novartis AG (CH) 2010-10-20 EP disclosed
WO-2009080694-A1 THIAZOLE DERIVATIVES USED AS PI 3 KINASE INHIBITORS NOVARTIS AG (CH) 2009-07-02 WO disclosed
US-20090163469-A1 Organic Compounds NOVARTIS AG 2009-06-25 US 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 (1 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-20090163469-A1 Organic Compounds PIK3C3, PIK3CA, PIK3CD IKBKB 849/4885ROCK1 215/4885DYRK1A 3376/4885

“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.