SCHEMBL3697573

SCHEMBL3697573

Cc1cc(OCCCN2C(=O)c3ccccc3C2=O)ccc1Nc1nc(NC2CCCCC2)c2nc[nH]c2n1

nearest known ligand 0.51

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 10/20 0.51
AXL P30530 2/20 0.43
MERTK Q12866 2/20 0.43
TTK P33981 3/20 0.42
ADORA3 P0DMS8 2/20 0.41
ADORA1 P30542 1/20 0.41
MAPT P10636 1/20 0.39
L3MBTL1 Q9Y468 1/20 0.39
PRKDC P78527 1/20 0.38
HPGD P15428 1/20 0.37

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
SCHEMBL3036637 0.93 BACE1 (0.43) BACE1AXLMERTKTTKMAPT
SCHEMBL3036644 0.93 BACE1 (0.43) BACE1AXLMERTKTTKMAPT
SCHEMBL3038261 0.91 TTK (0.42) BACE1AXLMERTKTTKMAPT
SCHEMBL3038265 0.91 TTK (0.42) BACE1AXLMERTKTTKMAPT
SCHEMBL2946038 0.84 AXL (0.47) AXLMERTKTTKADORA3ADORA1
SCHEMBL2946205 0.81 MERTK (0.48) AXLMERTKTTKADORA3ADORA1
SCHEMBL3703315 0.81 AXL (0.50) AXLMERTKTTKADORA3ADORA1
SCHEMBL4764869 0.81 TTK (0.54) TTK
SCHEMBL2946536 0.81 AXL (0.44) AXLMERTKTTKADORA3ADORA1
SCHEMBL4766002 0.80 TTK (0.47) AXLMERTKTTKADORA3ADORA1

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-20120122840-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF MYREXIS, INC. (US) 2012-05-17 US disclosed
US-20120122840-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF MYREXIS, INC. (US) 2012-05-17 US disclosed
US-20120122840-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF MYREXIS, INC. (US) 2012-05-17 US disclosed
WO-2010111406-A2 COMPOUNDS AND THERAPEUTIC USES THEREOF MYRIAD PHARMACEUTICALS, INC. (US) 2010-09-30 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-20120122840-A1 COMPOUNDS AND THERAPEUTIC USES THEREOF VHL, TP53, ASAH2 BACE1 1396/4885AXL 2976/4885MERTK 1662/4885

“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.