SCHEMBL17260341

SCHEMBL17260341

N#Cc1ccc(C2CC(c3cccc(-c4cncnc4)c3)N=C(N)S2)cc1

nearest known ligand 0.66

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 8/20 0.66
KDM1A O60341 4/20 0.36
MAOA P21397 1/20 0.33
CYP11B2 P19099 2/20 0.33
NPC1 O15118 1/20 0.32
RAB9A P51151 1/20 0.32
CYP17A1 P05093 1/20 0.32
CYP11B1 P15538 1/20 0.32
PAX8 Q06710 1/20 0.31
PRKACA P17612 1/20 0.30
PRKACG P22612 1/20 0.30
PRKACB P22694 1/20 0.30
CYP19A1 P11511 1/20 0.30
SLC6A2 P23975 1/20 0.30
SLC6A4 P31645 1/20 0.30
SLC6A3 Q01959 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
SCHEMBL15839627 1.00 BACE1 (0.66) BACE1KDM1AMAOACYP11B2NPC1
SCHEMBL15839677 0.88 BACE1 (0.72) BACE1
SCHEMBL17260317 0.88 BACE1 (0.72) BACE1
SCHEMBL17264645 0.86 BACE1 (0.70) BACE1
SCHEMBL15839629 0.86 BACE1 (0.70) BACE1KDM1ASLC6A2SLC6A4SLC6A3
SCHEMBL15825543 0.86 BACE1 (0.70) BACE1
SCHEMBL17260359 0.83 BACE1 (0.78) BACE1KDM1AMAOA
SCHEMBL15839628 0.83 BACE1 (0.78) BACE1KDM1AMAOA
SCHEMBL15826169 0.83 BACE1 (0.68) BACE1CYP11B2CYP11B1
SCHEMBL17264653 0.83 BACE1 (0.68) BACE1CYP11B2CYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2935256-B1 4,6-DIARYLAMINOTHIAZINES AS BACE1 INHIBITORS AND THEIR USE FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL MYERS SQUIBB CO (US) 2018-01-24 EP disclosed
US-9475784-B2 4,6-diarylaminothiazines as BACE1 inhibitors and their use for the reduction of beta-amyloid production BRISTOL-MYERS SQUIBB COMPANY (US) 2016-10-25 US disclosed
US-20150329506-A1 4,6-DIARYLAMINOTHIAZINES AS BACE1 INHIBITORS AND THEIR USE FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2015-11-19 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-20150329506-A1 4,6-DIARYLAMINOTHIAZINES AS BACE1 INHIBITORS AND THEIR USE FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BACE1, APP, BACE2 BACE1 1/4885KDM1A 1450/4885MAOA 432/4885

“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.