SCHEMBL17148989

SCHEMBL17148989

Brc1ccnc(-c2nc(C3CC3)no2)c1

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CNR2 P34972 3/20 0.47
USP30 Q70CQ3 5/20 0.46
POLB P06746 1/20 0.46
CASP3 P42574 1/20 0.46
SENP7 Q9BQF6 1/20 0.46
SENP6 Q9GZR1 1/20 0.46
CA1 P00915 2/20 0.45
CA2 P00918 2/20 0.45
CA9 Q16790 2/20 0.45
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
SMN1; SMN2 Q16637 1/20 0.43
USP7 Q93009 2/20 0.42
GRM5 P41594 1/20 0.42
CA12 O43570 1/20 0.41
KDM4E B2RXH2 1/20 0.41
ALDH1A1 P00352 1/20 0.41
HPGD P15428 1/20 0.41
HSD17B10 Q99714 1/20 0.41
BACE1 P56817 2/20 0.39

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
SCHEMBL17148992 0.77 POLB (0.60) USP30POLBCASP3SENP7SENP6
SCHEMBL17055753 0.75 ACHE (0.45) CNR2POLBNPC1RAB9ASMN1; SMN2
SCHEMBL19385273 0.75 HCRTR1 (0.49) USP30
SCHEMBL19385271 0.75 HCRTR1 (0.49) USP30
SCHEMBL17149001 0.74 BACE1 (0.41) CNR2USP30POLBCASP3SENP7
SCHEMBL11794448 0.74 CNR2 (0.47) CNR2USP30POLBCASP3SENP7
SCHEMBL22347416 0.73 CA1 (0.51) CNR2POLBCASP3SENP7SENP6
SCHEMBL17055770 0.72 GRM5 (0.40) POLBNPC1RAB9ASMN1; SMN2GRM5
SCHEMBL17108204 0.72 MAOA (0.44) CNR2POLBNPC1RAB9ASMN1; SMN2
SCHEMBL19400840 0.71 USP30 (0.50) USP30

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2908824-B1 TRICYCLIC SUBSTITUTED THIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS, AND THEIR USE MERCK SHARP & DOHME (US) 2018-05-02 EP 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-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

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-20150284379-A1 TRICYCLIC SUBSTITUTED THIADIAZINE DIOXIDE COMPOUNDS AS BACE INHIBITORS, COMPOSITIONS AND THEIR USE BACE1, BACE2, APP CNR2 1282/4885USP30 2733/4885POLB 280/4885

“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.