SCHEMBL96683

SCHEMBL96683

[CH2]c1sc(-c2ccc(C(F)(F)F)cc2)nc1-c1ccccc1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KIF11 P52732 1/20 0.50
DPP4 P27487 1/20 0.44
MAPK13 O15264 1/20 0.44
RAF1 P04049 1/20 0.44
MAPK12 P53778 1/20 0.44
MAPK11 Q15759 1/20 0.44
MAPK14 Q16539 1/20 0.44
MEN1 O00255 1/20 0.43
KMT2A Q03164 1/20 0.43
AKT1 P31749 1/20 0.42
AKT2 P31751 1/20 0.42
PTGDR2 Q9Y5Y4 5/20 0.41
CDC7 O00311 3/20 0.41
DBF4 Q9UBU7 3/20 0.41
BACE1 P56817 1/20 0.41
TOP1 P11387 2/20 0.40
RARA P10276 1/20 0.40
RARB P10826 1/20 0.40
RARG P13631 1/20 0.40
KDM4E B2RXH2 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
SCHEMBL2096227 0.85 PTGDR2 (0.50) KMT2APTGDR2CDC7DBF4RARA
SCHEMBL14148616 0.82 DPP4 (0.50) KIF11DPP4MAPK13RAF1MAPK12
SCHEMBL96684 0.82 RARA (0.61) KIF11DPP4MAPK13RAF1MAPK12
SCHEMBL4463500 0.81 PTGDR2 (0.55) KIF11DPP4MAPK13RAF1MAPK12
SCHEMBL6221417 0.79 PTGDR2 (0.52) KIF11KMT2APTGDR2KDM4EPOLB
SCHEMBL4485710 0.76 KIF11 (0.44) KIF11DPP4MAPK13RAF1MAPK12
SCHEMBL14148566 0.73 ALDH1A1 (0.59) KMT2APTGDR2CDC7DBF4RARA
SCHEMBL4737623 0.72 KDM4E (0.60) PTGDR2CDC7DBF4RARARARB
SCHEMBL25028118 0.71 KIF11 (0.48) KIF11MEN1KMT2AKDM4E
SCHEMBL4478832 0.71 CDC7 (0.75) MEN1KMT2ACDC7DBF4RARA

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8362252-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2013-01-29 US disclosed
EP-1797082-B1 CARBOSTYRIL COMPOUND OTSUKA PHARMA CO LTD (JP) 2012-08-29 EP disclosed
EP-2426128-A1 Carbostyril compound Otsuka Pharmaceutical Co., Limited (JP) 2012-03-07 EP disclosed
US-20100261705-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. 2010-10-14 US disclosed
US-7777038-B2 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2010-08-17 US disclosed
US-20090326008-A1 NF-kappa B Inhibitor OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2009-12-31 US disclosed
EP-2043644-A1 NF- B INHIBITOR Otsuka Pharmaceutical Co., Ltd. (JP) 2009-04-08 EP disclosed
WO-2008010601-A1 NF- ϰB INHIBITOR OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2008-01-24 WO disclosed
US-20070179173-A1 Carbostyril compound OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2007-08-02 US disclosed
EP-1797082-A1 CARBOSTYRIL COMPOUND Otsuka Pharmaceutical Company, Limited (JP) 2007-06-20 EP disclosed
WO-2006035954-A1 CARBOSTYRIL COMPOUND OTSUKA PHARMACEUTICAL CO., LTD. (JP) 2006-04-06 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 (3 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-20090326008-A1 NF-kappa B Inhibitor NFKBIA, NFKB2, IKBKB KIF11 3962/4885DPP4 4196/4885MAPK13 435/4885
US-20070179173-A1 Carbostyril compound GTF2F1, F3, GTF2F2 KIF11 2800/4885DPP4 3057/4885MAPK13 1055/4885
US-20100261705-A1 CARBOSTYRIL COMPOUND GTF2F1, F3, GTF2F2 KIF11 2800/4885DPP4 3057/4885MAPK13 1055/4885

“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.