SCHEMBL3040387

SCHEMBL3040387

Cc1cc(OCCCNC(=O)c2ccc3ccccc3c2C=O)ccc1Nc1nc(NC2CCCCC2)c2nc[nH]c2n1

nearest known ligand 0.43

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 4/20 0.43
AXL P30530 1/20 0.43
TYRO3 Q06418 10/20 0.37
SELP P16109 3/20 0.37
ADORA3 P0DMS8 2/20 0.36
ADORA1 P30542 1/20 0.36
TTK P33981 3/20 0.36
GAS6 Q14393 3/20 0.35
FLT3 P36888 2/20 0.35
TP53 P04637 1/20 0.35
MAPT P10636 1/20 0.35
CASK O14936 1/20 0.34
CSNK1E P49674 1/20 0.34
CTSL P07711 2/20 0.34
CTSS P25774 2/20 0.34
CTSK P43235 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
SCHEMBL2946205 0.86 MERTK (0.48) MERTKAXLTYRO3SELPADORA3
SCHEMBL2953479 0.83 MERTK (0.47) MERTKAXLTYRO3SELPADORA3
SCHEMBL2950079 0.82 MERTK (0.50) MERTKAXLTYRO3ADORA3ADORA1
SCHEMBL3037506 0.82 MERTK (0.46) MERTKAXLTYRO3SELPADORA3
SCHEMBL2951204 0.82 AXL (0.47) MERTKAXLADORA3ADORA1TTK
SCHEMBL2949092 0.81 MERTK (0.46) MERTKAXLTYRO3ADORA3ADORA1
SCHEMBL3040391 0.81 AXL (0.42) MERTKAXLADORA3ADORA1TTK
SCHEMBL2956364 0.81 AXL (0.49) MERTKAXLADORA3ADORA1TTK
SCHEMBL3698227 0.80 AXL (0.47) MERTKAXLADORA3ADORA1TTK
SCHEMBL3043011 0.80 MERTK (0.42) MERTKAXLTYRO3SELPADORA3

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 2 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
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 MERTK 1662/4885AXL 2976/4885TYRO3 2982/4885

“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.