SCHEMBL963356

SCHEMBL963356

COc1cc(Nc2n[nH]c(C(CCCCCl)c3ccc(F)cc3)n2)ccc1-c1cnn(C)c1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PSEN1 P49768 2/20 0.40
PSEN2 P49810 2/20 0.40
APH1B Q8WW43 2/20 0.40
NCSTN Q92542 2/20 0.40
APH1A Q96BI3 2/20 0.40
PSENEN Q9NZ42 2/20 0.40
AAK1 Q2M2I8 1/20 0.40
EP300 Q09472 1/20 0.38
IMPDH2 P12268 1/20 0.36
MAPK1 P28482 1/20 0.36
GRIN1 Q05586 1/20 0.36
GRIN2B Q13224 1/20 0.36
AXL P30530 8/20 0.36
TYRO3 Q06418 8/20 0.36
MERTK Q12866 7/20 0.36
KCNH2 Q12809 1/20 0.35
JAK2 O60674 1/20 0.34
JAK1 P23458 1/20 0.34
TYK2 P29597 1/20 0.34
JAK3 P52333 1/20 0.34

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
SCHEMBL964150 0.81 IMPDH2 (0.39) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL960321 0.81 PSEN1 (0.46) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL964387 0.79 PSEN1 (0.47) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL964691 0.78 PSEN1 (0.43) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL961047 0.78 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL960675 0.78 PSEN1 (0.40) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL962252 0.76 PSEN1 (0.36) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL964954 0.73 PSEN1 (0.44) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL960699 0.73 PSEN1 (0.45) PSEN1PSEN2APH1BNCSTNAPH1A
SCHEMBL962032 0.72 AXL (0.33) AXL

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-2379553-B1 BICYCLIC COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL MYERS SQUIBB CO (US) 2013-06-26 EP disclosed
US-8349880-B2 Bicyclic compounds for the reduction of beta-amyloid production BRISTOL-MYERS SQUIBB COMPANY (US) 2013-01-08 US disclosed
EP-2379553-A1 BICYCLIC COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION Bristol-Myers Squibb Company (US) 2011-10-26 EP disclosed
US-20110015175-A1 Bicyclic Compounds for the Reduction of Beta-Amyloid Production BRISTOL-MYERS SQUIBB COMPANY 2011-01-20 US disclosed
WO-2010083141-A1 BICYCLIC COMPOUNDS FOR THE REDUCTION OF BETA-AMYLOID PRODUCTION BRISTOL-MYERS SQUIBB COMPANY (US) 2010-07-22 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-20110015175-A1 Bicyclic Compounds for the Reduction of Beta-Amyloid Production APP, BACE1, APBA1 PSEN1 6/4885PSEN2 7/4885APH1B 13/4885

“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.