SCHEMBL15839677

SCHEMBL15839677

NC1=N[C@H](c2cccc(-c3cncnc3)c2)C[C@@H](c2ccccc2)S1

nearest known ligand 0.72

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 14/20 0.72
ATM Q13315 1/20 0.38
KCNH2 Q12809 3/20 0.34
HDAC4 P56524 1/20 0.33
DHFR P00374 1/20 0.32
ACHE P22303 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31

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 1.00 BACE1 (0.72) BACE1ATMKCNH2HDAC4DHFR
SCHEMBL15839629 0.91 BACE1 (0.70) BACE1ACHETAAR1
SCHEMBL17264645 0.91 BACE1 (0.70) BACE1TAAR1
SCHEMBL15825543 0.91 BACE1 (0.70) BACE1TAAR1
SCHEMBL17264653 0.90 BACE1 (0.68) BACE1
SCHEMBL15826169 0.90 BACE1 (0.68) BACE1
SCHEMBL17260359 0.88 BACE1 (0.78) BACE1KCNH2
SCHEMBL17260341 0.88 BACE1 (0.66) BACE1
SCHEMBL15839627 0.88 BACE1 (0.66) BACE1
SCHEMBL15839628 0.88 BACE1 (0.78) BACE1KCNH2

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 1/4885ATM 4631/4885KCNH2 656/4885

“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.