SCHEMBL458913

SCHEMBL458913

O=C(Nc1nc2ccc(-c3cccnc3)cc2s1)N1CCC(=Cc2ccccn2)CC1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CG P48736 3/20 0.56
PIK3CA P42336 1/20 0.56
ABL1 P00519 5/20 0.54
ITK Q08881 2/20 0.53
TRPV1 Q8NER1 3/20 0.46
LCK P06239 1/20 0.45
LMNA P02545 2/20 0.44
CLK1 P49759 2/20 0.44
SMN1; SMN2 Q16637 2/20 0.44
KIT P10721 1/20 0.43
PDGFRA P16234 1/20 0.43
MAPK1 P28482 1/20 0.43
HTT P42858 1/20 0.43
NPC1 O15118 1/20 0.43
RAB9A P51151 1/20 0.43
HDAC3 O15379 1/20 0.42
HDAC1 Q13547 1/20 0.42
HDAC2 Q92769 1/20 0.42
MEN1 O00255 1/20 0.42
KMT2A Q03164 1/20 0.42

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
SCHEMBL459961 0.92 PIK3CG (0.46) PIK3CGPIK3CAABL1ITKTRPV1
SCHEMBL458334 0.91 ITK (0.51) PIK3CGPIK3CAABL1ITKTRPV1
SCHEMBL460519 0.87 PIK3CG (0.58) PIK3CGPIK3CAABL1TRPV1HTT
SCHEMBL458364 0.85 TRPV1 (0.44) PIK3CGABL1ITKTRPV1LMNA
SCHEMBL460334 0.84 TRPV1 (0.47) TRPV1LMNASMN1; SMN2HTTNPC1
SCHEMBL460061 0.84 HPGDS (0.55) TRPV1LMNACLK1SMN1; SMN2HTT
SCHEMBL458405 0.84 ABL1 (0.47) PIK3CGABL1TRPV1
SCHEMBL15103274 0.83 NPC1 (0.52) PIK3CASMN1; SMN2NPC1RAB9A
SCHEMBL460191 0.82 RAB9A (0.44) ABL1TRPV1SMN1; SMN2KITHTT
SCHEMBL460598 0.81 DYRK1A (0.52) LMNASMN1; SMN2HTTNPC1RAB9A

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-9181183-B2 Prostaglandin D synthase inhibitory piperidine compounds TAIHO PHARMACEUTICAL CO., LTD. (JP) 2015-11-10 US claimed
EP-2615084-B1 PROSTAGLANDIN D SYNTHASE INHIBITORY PIPERIDINE COMPOUNDS TAIHO PHARMACEUTICAL CO LTD (JP) 2016-01-06 EP disclosed
US-9181183-B2 Prostaglandin D synthase inhibitory piperidine compounds TAIHO PHARMACEUTICAL CO., LTD. (JP) 2015-11-10 US disclosed
EP-2615084-A1 PROSTAGLANDIN D SYNTHASE INHIBITORY PIPERIDINE COMPOUNDS Taiho Pharmaceutical Co., Ltd. (JP) 2013-07-17 EP disclosed
US-20130165438-A1 PROSTAGLANDIN D SYNTHASE INHIBITORY PIPERIDINE COMPOUNDS TAIHO PHARMACEUTICAL CO., LTD. (JP) 2013-06-27 US disclosed
WO-2012033069-A1 PROSTAGLANDIN D SYNTHASE INHIBITORY PIPERIDINE COMPOUNDS 大鵬薬品工業株式会社 (JP) 2012-03-15 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 (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-20130165438-A1 PROSTAGLANDIN D SYNTHASE INHIBITORY PIPERIDINE COMPOUNDS PTGIS, PTGS1, PTGDR PIK3CG 2663/4885PIK3CA 3044/4885ABL1 2666/4885

“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.