Sugi Predict

Sugi Predict / Compounds / SCHEMBL7997304

SCHEMBL7997304

SCHEMBL7997304

CCc1nc(Cl)nc(OC)c1F

nearest known ligand 0.38

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
▸ CYP1A2 P05177 1/20 0.38
▸ BACE1 P56817 5/20 0.32
▸ BACE2 Q9Y5Z0 1/20 0.30
▸ CRHR1 P34998 1/20 0.30

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
SCHEMBL7993573 0.85 CYP1A2 (0.36) CYP1A2BACE1
SCHEMBL12599924 0.83 CYP1A2 (0.37) CYP1A2
SCHEMBL7993579 0.83 KDM4E (0.33) CRHR1
SCHEMBL12599750 0.81 CYP1A2 (0.47) CYP1A2
SCHEMBL5336235 0.75 LMNA (0.32) —
SCHEMBL12599925 0.75 CYP1A2 (0.32) CYP1A2
SCHEMBL12075359 0.74 MAPT (0.38) CYP1A2
SCHEMBL12599922 0.74 CYP1A2 (0.41) CYP1A2
SCHEMBL12599748 0.74 LMNA (0.31) —
SCHEMBL5343465 0.72 LMNA (0.30) —

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2694521-B1 PYRROLIDINE-FUSED THIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME (US) 2015-11-25 — — EP disclosed
EP-2694521-B1 PYRROLIDINE-FUSED THIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME (US) 2015-11-25 — — EP disclosed
US-9145426-B2 Pyrrolidine-fused thiadiazine dioxide compounds as BACE inhibitors, compositions, and their use MERCK SHARP & DOHME CORP. (US) 2015-09-29 — — US disclosed
US-9145426-B2 Pyrrolidine-fused thiadiazine dioxide compounds as BACE inhibitors, compositions, and their use MERCK SHARP & DOHME CORP. (US) 2015-09-29 — — US disclosed
US-9145426-B2 Pyrrolidine-fused thiadiazine dioxide compounds as BACE inhibitors, compositions, and their use MERCK SHARP & DOHME CORP. (US) 2015-09-29 — — US disclosed
EP-2694521-A1 PYRROLIDINE-FUSED THIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE Merck Sharp & Dohme Corp. (US) 2014-02-12 — — EP disclosed
US-20140023667-A1 PYRROLIDINE-FUSED THIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE Merck, Sharp & Dohme Corp. (US) 2014-01-23 — — US disclosed
US-20140023667-A1 PYRROLIDINE-FUSED THIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE Merck, Sharp & Dohme Corp. (US) 2014-01-23 — — US disclosed
US-20140023667-A1 PYRROLIDINE-FUSED THIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE Merck, Sharp & Dohme Corp. (US) 2014-01-23 — — US disclosed
US-8541427-B2 Phenyl-substituted 2-imino-3-methyl pyrrolo pyrimidinone compounds as BACE-1 inhibitors, compositions, and their use Merck, Sharp & Dohme, Corp. (US) 2013-09-24 — — US disclosed
US-8450331-B2 Thiophenyl-substituted 2-imino-3-methyl pyrrolo pyrimidinone compounds as BACE-1 inhibitors, compositions, and their use MERCK SHARP & DOHME CORP. (US) 2013-05-28 — — US disclosed
US-8450331-B2 Thiophenyl-substituted 2-imino-3-methyl pyrrolo pyrimidinone compounds as BACE-1 inhibitors, compositions, and their use MERCK SHARP & DOHME CORP. (US) 2013-05-28 — — US disclosed
WO-2012138590-A1 PYRROLIDINE-FUSED THIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2012-10-11 — — WO disclosed
WO-2012138590-A1 PYRROLIDINE-FUSED THIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME CORP. (US) 2012-10-11 — — WO disclosed
US-20110110927-A1 THIOPHENYL-SUBSTITUTED 2-IMINO-3-METHYL PYRROLO PYRIMIDINONE COMPOUNDS AS BACE-1 INHIBITORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME LLC 2011-05-12 — — US disclosed
US-20110110957-A1 PHENYL-SUBSTITUTED 2-IMINO-3-METHYL PYRROLO PYRIMIDINONE COMPOUNDS AS BACE-1 INHIBITORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME LLC 2011-05-12 — — US disclosed
US-20110110957-A1 PHENYL-SUBSTITUTED 2-IMINO-3-METHYL PYRROLO PYRIMIDINONE COMPOUNDS AS BACE-1 INHIBITORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME LLC 2011-05-12 — — US disclosed
US-20110110927-A1 THIOPHENYL-SUBSTITUTED 2-IMINO-3-METHYL PYRROLO PYRIMIDINONE COMPOUNDS AS BACE-1 INHIBITORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME LLC 2011-05-12 — — US disclosed
WO-2009131974-A1 THIOPHENYL-SUBSTITUTED 2-IMINO-3-METHYL PYRROLO PYRIMIDINONE COMPOUNDS AS BACE-1 INHIBITORS, COMPOSITIONS, AND THEIR USE SCHERING CORPORATION (US) 2009-10-29 — — 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 (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-20110110957-A1 PHENYL-SUBSTITUTED 2-IMINO-3-METHYL PYRROLO PYRIMIDINONE COMPOUNDS AS BACE-1 INHIBITORS, COMPOSITIONS, AND THEIR USE BACE1, PSEN1, APP CYP1A2 289/4885BACE1 1/4885BACE2 4/4885
US-20110110927-A1 THIOPHENYL-SUBSTITUTED 2-IMINO-3-METHYL PYRROLO PYRIMIDINONE COMPOUNDS AS BACE-1 INHIBITORS, COMPOSITIONS, AND THEIR USE BACE1, APP, PSEN1 CYP1A2 943/4885BACE1 1/4885BACE2 4/4885
US-20140023667-A1 PYRROLIDINE-FUSED THIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE BACE1, PSEN1, BACE2 CYP1A2 576/4885BACE1 1/4885BACE2 3/4885

“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.