SCHEMBL4396346

SCHEMBL4396346

O=Cc1ccc2nccc(-c3ccccn3)c2c1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TGFBR1 P36897 4/20 0.44
MAPK14 Q16539 3/20 0.44
PRKCI P41743 1/20 0.43
METAP1 P53582 2/20 0.41
CSNK1D P48730 2/20 0.41
TGFBR2 P37173 1/20 0.41
ABL2 P42684 1/20 0.41
CSNK1A1 P48729 1/20 0.41
MAP3K20 Q9NYL2 1/20 0.41
KDM4E B2RXH2 2/20 0.40
POLB P06746 2/20 0.40
MEN1 O00255 1/20 0.40
NPC1 O15118 1/20 0.40
ALDH1A1 P00352 1/20 0.40
KMT2A Q03164 1/20 0.40
IP6K1 Q92551 2/20 0.39
PIK3CA P42336 2/20 0.38
KDM1A O60341 3/20 0.38
ERN1 O75460 2/20 0.38
CCNB2 O95067 1/20 0.38

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
SCHEMBL4391748 0.83 HTR2C (0.44) CSNK1DKDM4EPOLBMEN1NPC1
SCHEMBL4396146 0.77 PIM1 (0.69) CSNK1DNPC1PIK3CAGSK3BPIK3CD
SCHEMBL4396147 0.77 PIM1 (0.69) CSNK1DNPC1PIK3CAGSK3BPIK3CD
SCHEMBL30827802 0.76 PIK3CA (0.60) CSNK1DKDM4EPOLBMEN1NPC1
SCHEMBL732106 0.76 PIK3CA (0.60) CSNK1DKDM4EPOLBMEN1NPC1
SCHEMBL6627903 0.76 TGFBR1 (0.67) TGFBR1MAPK14PRKCIMETAP1CSNK1D
SCHEMBL4194905 0.75 CCNB2 (0.41) TGFBR1CSNK1DKDM4EPOLBMEN1
SCHEMBL5328041 0.75 KDM1A (0.51) METAP1KDM4EPOLBALDH1A1KDM1A
SCHEMBL4191687 0.74 TOP2A (0.43) TGFBR1MAPK14CSNK1DKDM4EPOLB
SCHEMBL4196335 0.74 ERN1 (0.45) TGFBR1CSNK1DKDM4EPOLBMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20090306074-A1 THIAZOLIDINEDIONE DERIVATIVES AS P13 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION 2009-12-10 US disclosed
EP-2004189-A2 THIAZOLIDINEDIONE DERIVATIVES AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2008-12-24 EP disclosed
US-20080255115-A1 THIAZOLIDINEDIONE DERIVATIVES AS PI3 KINASE INHIBITORS DARCY MICHAEL GERARD 2008-10-16 US disclosed
WO-2007136940-A2 THIAZOLIDINEDIONE DERIVATIVES AS PI3 KINASE INHIBITORS SMITHKLINE BEECHAM CORPORATION (US) 2007-11-29 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-20080255115-A1 THIAZOLIDINEDIONE DERIVATIVES AS PI3 KINASE INHIBITORS PI4KA, JAK3, PIK3CD TGFBR1 117/4885MAPK14 1480/4885PRKCI 273/4885
US-20090306074-A1 THIAZOLIDINEDIONE DERIVATIVES AS P13 KINASE INHIBITORS JAK3, DPP3, ADRB3 TGFBR1 132/4885MAPK14 918/4885PRKCI 229/4885

“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.