SCHEMBL2108348

SCHEMBL2108348

O=C(O)c1ccc(-c2nccs2)cn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PDPK1 O15530 1/20 0.50
ECE1 P42892 1/20 0.50
CYP2A6 P11509 1/20 0.49
CHEK2 O96017 1/20 0.47
P4HTM Q9NXG6 3/20 0.46
P4HA1 P13674 1/20 0.46
MIF P14174 1/20 0.46
LOXL2 Q9Y4K0 1/20 0.45
KDM4E B2RXH2 1/20 0.44
ALDH1A1 P00352 1/20 0.44
PTGDR2 Q9Y5Y4 1/20 0.43
ABL1 P00519 1/20 0.43
BCR P11274 1/20 0.43
HDAC2 Q92769 2/20 0.42
ADRB2 P07550 1/20 0.41
HDAC3 O15379 1/20 0.41
HDAC4 P56524 1/20 0.41
HDAC1 Q13547 1/20 0.41
HDAC7 Q8WUI4 1/20 0.41
HDAC10 Q969S8 1/20 0.41

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
SCHEMBL2109174 0.78 RAB9A (0.45) ECE1CYP2A6CHEK2LOXL2ALDH1A1
SCHEMBL13731115 0.78 P4HTM (0.64) P4HTMP4HA1MIFKDM4EALDH1A1
SCHEMBL2177044 0.77 PDPK1 (0.60) PDPK1CHEK2LOXL2KDM4EALDH1A1
SCHEMBL27673803 0.76 PDPK1 (0.58) PDPK1CHEK2LOXL2KDM4EALDH1A1
SCHEMBL10722440 0.75 EGLN1 (0.56) CYP2A6CHEK2P4HTMP4HA1MIF
SCHEMBL722198 0.73 PDPK1 (0.77) PDPK1CYP2A6CHEK2LOXL2ALDH1A1
SCHEMBL13680491 0.73 ALDH1A1 (0.55) ECE1CYP2A6P4HTMP4HA1MIF
SCHEMBL3722096 0.73 TRPM4 (0.47) PDPK1CHEK2LOXL2PTGDR2ABL1
SCHEMBL2816868 0.72 CHEK2 (0.55) PDPK1CHEK2LOXL2PTGDR2HDAC2
SCHEMBL23832336 0.72 CYP2A6 (0.55) PDPK1CYP2A6CHEK2LOXL2ABL1

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 35 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-103476760-B As the Isosorbide-5-Nitrae-oxygen azepine * of BACE1 and/or BACE2 inhibitor HOFFMAN-LA ROCHE LTD. (CH) 2015-11-25 CN disclosed
EP-2233474-B1 CONDENSED AMINODIHYDROTHIAZINE DERIVATIVE EISAI R&D MAN CO LTD (JP) 2015-08-05 EP disclosed
EP-2233474-B1 CONDENSED AMINODIHYDROTHIAZINE DERIVATIVE EISAI R&D MAN CO LTD (JP) 2015-08-05 EP disclosed
US-8946210-B2 Fused aminodihydrothiazine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-02-03 US disclosed
US-8946210-B2 Fused aminodihydrothiazine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-02-03 US disclosed
US-8946210-B2 Fused aminodihydrothiazine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-02-03 US disclosed
US-8946211-B2 Fused aminodihydrothiazine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-02-03 US disclosed
US-8946211-B2 Fused aminodihydrothiazine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-02-03 US disclosed
US-8946211-B2 Fused aminodihydrothiazine derivatives EISAI R&D MANAGEMENT CO., LTD. (JP) 2015-02-03 US disclosed
US-20140323469-A1 1,4 OXAZEPINES AS BACE1 AND/OR BACE2 INHIBITORS SIENA BIOTECH S.P.A. (IT) 2014-10-30 US disclosed
US-20100317850-A1 CONDENSED AMINODIHYDROTHIAZINE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-12-16 US disclosed
US-20100317850-A1 CONDENSED AMINODIHYDROTHIAZINE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-12-16 US disclosed
US-20100317850-A1 CONDENSED AMINODIHYDROTHIAZINE DERIVATIVE EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-12-16 US disclosed
CN-101910143-A Fused Aminodihydrothiazine Derivatives EISAI R&D MAN CO LTD 2010-12-08 CN disclosed
EP-2233474-A1 CONDENSED AMINODIHYDROTHIAZINE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2010-09-29 EP disclosed
EP-2233474-A1 CONDENSED AMINODIHYDROTHIAZINE DERIVATIVE Eisai R&D Management Co., Ltd. (JP) 2010-09-29 EP disclosed
US-20090209755-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-08-20 US disclosed
US-20090209755-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-08-20 US disclosed
US-20090209755-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES EISAI R&D MANAGEMENT CO., LTD. (JP) 2009-08-20 US disclosed
WO-2009091016-A1 CONDENSED AMINODIHYDROTHIAZINE DERIVATIVE EISAI R & D MANAGEMENT CO., LTD. (JP) 2009-07-23 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-20140323469-A1 1,4 OXAZEPINES AS BACE1 AND/OR BACE2 INHIBITORS BACE1, BACE2, PSEN2 PDPK1 666/4885ECE1 106/4885CYP2A6 713/4885
US-20090209755-A1 FUSED AMINODIHYDROTHIAZINE DERIVATIVES BACE1, APP, BACE2 PDPK1 4535/4885ECE1 124/4885CYP2A6 1607/4885
US-20100317850-A1 CONDENSED AMINODIHYDROTHIAZINE DERIVATIVE BACE1, APP, BACE2 PDPK1 4289/4885ECE1 130/4885CYP2A6 2684/4885

“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.