SCHEMBL3041633

SCHEMBL3041633

Cc1cc(C)n(C(C(=O)NCCCOc2ccc(Nc3nc(NC4CCCCC4)c4nc[nH]c4n3)c(C)c2)C(C)C)n1

nearest known ligand 0.41

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.41
MERTK Q12866 1/20 0.41
TTK P33981 16/20 0.38
NR2F2 P24468 2/20 0.35
NPSR1 Q6W5P4 2/20 0.35
MEN1 O00255 1/20 0.35
NPC1 O15118 1/20 0.35
S1PR2 O95136 1/20 0.35
ALDH1A1 P00352 1/20 0.35
LMNA P02545 1/20 0.35
XBP1 P17861 1/20 0.35
RAB9A P51151 1/20 0.35
PPP1CA P62136 1/20 0.35
KMT2A Q03164 1/20 0.35
ADORA3 P0DMS8 1/20 0.34
ADORA1 P30542 1/20 0.34
KDM4E B2RXH2 1/20 0.34
MAPT P10636 1/20 0.34
MAPK1 P28482 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
SCHEMBL2951204 0.88 AXL (0.47) AXLMERTKTTKADORA3ADORA1
SCHEMBL4766652 0.87 AXL (0.45) AXLMERTKTTKADORA3ADORA1
SCHEMBL2954639 0.86 AXL (0.46) AXLMERTKTTKADORA3ADORA1
Trifluoroacetic Acid SCHEMBL2954969 0.84 AXL (0.42) AXLMERTKTTKADORA3ADORA1
SCHEMBL2950079 0.82 MERTK (0.50) AXLMERTKTTKADORA3ADORA1
SCHEMBL2946205 0.81 MERTK (0.48) AXLMERTKTTKADORA3ADORA1
SCHEMBL3698227 0.81 AXL (0.47) AXLMERTKTTKMEN1ALDH1A1
SCHEMBL2953479 0.81 MERTK (0.47) AXLMERTKTTKMEN1KMT2A
SCHEMBL4766705 0.81 AXL (0.45) AXLMERTKTTKADORA3ADORA1
SCHEMBL3037506 0.80 MERTK (0.46) 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 3 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2010111406-A2 COMPOUNDS AND THERAPEUTIC USES THEREOF MYRIAD PHARMACEUTICALS, INC. (US) 2010-09-30 WO claimed
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

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 AXL 2976/4885MERTK 1662/4885TTK 4589/4885

“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.