SCHEMBL17264649

SCHEMBL17264649

NC1=N[C@H](c2cccc(-c3cncnc3)c2)C[C@@H](c2cnccn2)S1

nearest known ligand 0.64

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 10/20 0.64
KCNH2 Q12809 1/20 0.33
CYP2A6 P11509 1/20 0.32
MEN1 O00255 1/20 0.32
PSIP1 O75475 1/20 0.32
AXL P30530 1/20 0.32
MKNK1 Q9BUB5 1/20 0.32
MKNK2 Q9HBH9 1/20 0.32
DHFR P00374 1/20 0.31
KDM1A O60341 2/20 0.30
MAOB P27338 1/20 0.30
BACE2 Q9Y5Z0 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
SCHEMBL15825491 1.00 BACE1 (0.64) BACE1KCNH2CYP2A6MEN1PSIP1
SCHEMBL17264651 0.89 BACE1 (0.64) BACE1KCNH2DHFRKDM1AMAOB
SCHEMBL15825663 0.89 BACE1 (0.64) BACE1KCNH2DHFRKDM1AMAOB
SCHEMBL15826169 0.86 BACE1 (0.68) BACE1CYP2A6MEN1PSIP1AXL
SCHEMBL17264653 0.86 BACE1 (0.68) BACE1CYP2A6MEN1PSIP1AXL
SCHEMBL15839677 0.84 BACE1 (0.72) BACE1KCNH2DHFR
SCHEMBL17260317 0.84 BACE1 (0.72) BACE1KCNH2DHFR
SCHEMBL17264648 0.83 BACE1 (0.62) BACE1DHFR
SCHEMBL15825318 0.83 BACE1 (0.62) BACE1DHFR
SCHEMBL15824441 0.81 BACE1 (0.68) BACE1KCNH2DHFRBACE2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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

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 1/4885KCNH2 656/4885CYP2A6 430/4885

“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.