SCHEMBL15839629

SCHEMBL15839629

NC1=N[C@H](c2cccc(-c3cncnc3)c2)C[C@@H](c2ccc(Cl)cc2)S1

nearest known ligand 0.70

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 8/20 0.70
CNR1 P21554 1/20 0.37
CNR2 P34972 1/20 0.37
HTR2C P28335 1/20 0.36
KDM1A O60341 1/20 0.36
MAOB P27338 1/20 0.36
MAPKAPK2 P49137 1/20 0.35
BCHE P06276 1/20 0.33
ACHE P22303 1/20 0.33
TAAR1 Q96RJ0 1/20 0.33
SLC6A2 P23975 1/20 0.32
SLC6A4 P31645 1/20 0.32
SLC6A3 Q01959 1/20 0.32
ADORA1 P30542 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
SCHEMBL17260317 0.91 BACE1 (0.72) BACE1ACHETAAR1
SCHEMBL15839677 0.91 BACE1 (0.72) BACE1ACHETAAR1
SCHEMBL15825543 0.89 BACE1 (0.70) BACE1HTR2CTAAR1
SCHEMBL17264645 0.89 BACE1 (0.70) BACE1HTR2CTAAR1
SCHEMBL15839627 0.86 BACE1 (0.66) BACE1KDM1ASLC6A2SLC6A4SLC6A3
SCHEMBL15839628 0.86 BACE1 (0.78) BACE1KDM1AMAOB
SCHEMBL17260341 0.86 BACE1 (0.66) BACE1KDM1ASLC6A2SLC6A4SLC6A3
SCHEMBL17260359 0.86 BACE1 (0.78) BACE1KDM1AMAOB
SCHEMBL15826169 0.85 BACE1 (0.68) BACE1
SCHEMBL17264653 0.85 BACE1 (0.68) BACE1

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 6 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-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
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
WO-2014098831-A1 4,6-DIARYLAMINOTHIAZINES AS BACE1 INHIBITORS AND THEIR USE FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2014-06-26 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 (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 1/4885CNR1 440/4885CNR2 760/4885

“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.