SCHEMBL13466616

SCHEMBL13466616

Brc1cncc(-c2ncco2)c1

nearest known ligand 0.42

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ HPGDS O60760 1/20 0.42
▸ CYP2A6 P11509 2/20 0.40
▸ PTK2 Q05397 1/20 0.39
▸ LTA4H P09960 1/20 0.38
▸ BACE1 P56817 4/20 0.36
▸ CCNC P24863 2/20 0.36
▸ CDK8 P49336 2/20 0.36
▸ CYP11B1 P15538 2/20 0.35
▸ CYP11B2 P19099 2/20 0.35
▸ BACE2 Q9Y5Z0 2/20 0.34
▸ GLRA3 O75311 1/20 0.33
▸ GLRB P48167 1/20 0.33
▸ POLB P06746 1/20 0.32
▸ HCAR2 Q8TDS4 1/20 0.32
▸ PGR P06401 1/20 0.32

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
SCHEMBL13354410 0.78 HPGDS (0.42) HPGDSCYP2A6LTA4HBACE1CCNC
Hydrochloric Acid SCHEMBL30555492 0.76 HPGDS (0.41) HPGDSLTA4HBACE1CCNCCDK8
SCHEMBL15883428 0.74 NPC1 (0.51) HPGDSLTA4HPOLB
SCHEMBL31277144 0.74 NPC1 (0.51) HPGDSLTA4HPOLB
SCHEMBL13737200 0.74 HPGDS (0.53) HPGDSCYP2A6LTA4HBACE1CCNC
SCHEMBL19949791 0.74 HPGDS (0.39) HPGDSLTA4HBACE1CCNCCDK8
SCHEMBL14752258 0.74 HPGDS (0.39) HPGDSLTA4HBACE1CCNCCDK8
SCHEMBL14754891 0.74 HPGDS (0.39) HPGDSLTA4HBACE1CCNCCDK8
SCHEMBL14395774 0.74 HPGDS (0.39) HPGDSLTA4HBACE1CCNCCDK8
SCHEMBL16159872 0.74 LTA4H (0.45) HPGDSLTA4HBACE1CCNCCDK8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11802120-B2 Fused cyclic urea derivatives as CRHR2 antagonist RAQUALIA PHARMA INC. (JP) 2023-10-31 — — US disclosed
EP-3774739-B1 FUSED CYCLIC UREA DERIVATIVES AS CRHR2 ANTAGONIST RAQUALIA PHARMA INC (JP) 2022-05-11 — — EP disclosed
US-20210078975-A1 FUSED CYCLIC UREA DERIVATIVES AS CRHR2 ANTAGONIST RAQUALIA PHARMA INC. (JP) 2021-03-18 — — US disclosed
EP-2908824-B1 TRICYCLIC SUBSTITUTED THIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME (US) 2018-05-02 — — EP disclosed
EP-2747769-B1 2-SPIRO-SUBSTITUTED IMINOTHIAZINES AND THEIR MONO-AND DIOXIDES AS BACE INHIBITORS, COMPOSITIONS AND THEIR USE MERCK SHARP & DOHME (US) 2017-08-02 — — EP disclosed
EP-2697210-B1 5-SUBSTITUTED IMINOTHIAZINES AND THEIR MONO-AND DIOXIDES AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME (US) 2017-03-01 — — EP disclosed
US-9499502-B2 5-substituted iminothiazines and their mono- and dioxides as BACE inhibitors, compositions, and their use MERCK SHARP & DOHME CORP. (US) 2016-11-22 — — US disclosed
US-9499502-B2 5-substituted iminothiazines and their mono- and dioxides as BACE inhibitors, compositions, and their use MERCK SHARP & DOHME CORP. (US) 2016-11-22 — — US disclosed
US-9416129-B2 Tricyclic substituted thiadiazine dioxide compounds as BACE inhibitors, compositions and their use MERCK SHARP & DOHME CORP. (US) 2016-08-16 — — US disclosed
US-9416129-B2 Tricyclic substituted thiadiazine dioxide compounds as BACE inhibitors, compositions and their use MERCK SHARP & DOHME CORP. (US) 2016-08-16 — — US disclosed
US-9181236-B2 2-spiro-substituted iminothiazines and their mono-and dioxides as bace inhibitors, compositions and their use MERCK SHARP & DOHME CORP. (US) 2015-11-10 — — US disclosed
US-20150284379-A1 TRICYCLIC SUBSTITUTED THIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2015-10-08 — — US disclosed
US-20150284379-A1 TRICYCLIC SUBSTITUTED THIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2015-10-08 — — US disclosed
US-20140200213-A1 2-SPIRO-SUBSTITUTED IMINOTHIAZINES AND THEIR MONO-AND DIOXIDES AS BACE INHIBITORS, COMPOSITIONS AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2014-07-17 — — US disclosed
US-20140200213-A1 2-SPIRO-SUBSTITUTED IMINOTHIAZINES AND THEIR MONO-AND DIOXIDES AS BACE INHIBITORS, COMPOSITIONS AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2014-07-17 — — US disclosed
US-20140128382-A1 5-SUBSTITUTED IMINOTHIAZINES AND THEIR MONO- AND DIOXIDES AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME LLC 2014-05-08 — — US disclosed
US-20140128382-A1 5-SUBSTITUTED IMINOTHIAZINES AND THEIR MONO- AND DIOXIDES AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME LLC 2014-05-08 — — US disclosed
WO-2013028670-A1 2-SPIRO-SUBSTITUTED IMINOTHIAZINES AND THEIR MONO-AND DIOXIDES AS BACE INHIBITORS, COMPOSITIONS AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2013-02-28 — — WO disclosed
WO-2012139425-A1 5-SUBSTITUTED IMINOTHIAZINES AND THEIR MONO-AND DIOXIDES AS BACE INHIBITORS,COMPOSITIONS,AND THEIR USE SCHERING CORPORATION (US) 2012-10-18 — — WO disclosed
EP-1242426-B1 GAMMA-HYDROXY-2-(FLUOROALKYLAMINOCARBONYL)-1-PIPERAZINEPENTANAMIDES AS HIV PROTEASE INHIBITORS MERCK & CO INC (US) 2007-10-31 — — EP 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 (5 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-20210078975-A1 FUSED CYCLIC UREA DERIVATIVES AS CRHR2 ANTAGONIST CRHR2, CRHR1, CRH HPGDS 732/4885CYP2A6 3919/4885PTK2 4665/4885
US-20140200213-A1 2-SPIRO-SUBSTITUTED IMINOTHIAZINES AND THEIR MONO-AND DIOXIDES AS BACE INHIBITORS, COMPOSITIONS AND THEIR USE BACE2, BACE1, APP HPGDS 2196/4885CYP2A6 331/4885PTK2 1400/4885
US-11802120-B2 Fused cyclic urea derivatives as CRHR2 antagonist CRHR2, CRHR1, CRH HPGDS 732/4885CYP2A6 3919/4885PTK2 4665/4885
US-20140128382-A1 5-SUBSTITUTED IMINOTHIAZINES AND THEIR MONO- AND DIOXIDES AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE BACE1, BACE2, PSEN1 HPGDS 2648/4885CYP2A6 811/4885PTK2 2173/4885
US-20150284379-A1 TRICYCLIC SUBSTITUTED THIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS AND THEIR USE BACE1, BACE2, APP HPGDS 2767/4885CYP2A6 395/4885PTK2 2519/4885

“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.

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