SCHEMBL2951201

SCHEMBL2951201

Cc1cc(C(=O)NCCc2cccnc2)ccc1Nc1nc(NC2CCCCC2)c2nc[nH]c2n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 2/20 0.41
AXL P30530 1/20 0.41
CTSL P07711 2/20 0.41
CTSS P25774 2/20 0.41
CTSK P43235 1/20 0.41
HDAC2 Q92769 1/20 0.40
HDAC8 Q9BY41 1/20 0.40
HDAC6 Q9UBN7 1/20 0.40
FLT3 P36888 1/20 0.40
TYRO3 Q06418 1/20 0.40
GAS6 Q14393 1/20 0.40
NAMPT P43490 4/20 0.40
PTAFR P25105 1/20 0.40
PLK1 P53350 2/20 0.40
BRD4 O60885 1/20 0.40
BRDT Q58F21 1/20 0.40
TTK P33981 1/20 0.39
PARP1 P09874 1/20 0.39
ADORA3 P0DMS8 1/20 0.38
ADORA1 P30542 1/20 0.38

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
SCHEMBL2953044 0.91 MERTK (0.42) MERTKAXLCTSLCTSSCTSK
SCHEMBL2956369 0.87 ALDH1A1 (0.44) MERTKAXLFLT3TYRO3GAS6
SCHEMBL2955746 0.85 ALOX15 (0.49) MERTKAXLHDAC8PLK1TTK
SCHEMBL4976200 0.81 TTK (0.46) MERTKAXLTTKADORA3ADORA1
SCHEMBL2951457 0.80 TTK (0.48) MERTKAXLTTKADORA3ADORA1
SCHEMBL2953479 0.79 MERTK (0.47) MERTKAXLFLT3TYRO3GAS6
SCHEMBL2953399 0.79 TYRO3 (0.53) MERTKAXLTYRO3INSRKDR
SCHEMBL2949092 0.79 MERTK (0.46) MERTKAXLFLT3TYRO3GAS6
SCHEMBL2946205 0.78 MERTK (0.48) MERTKAXLTYRO3GAS6BRD4
SCHEMBL4766994 0.77 TTK (0.44) MERTKAXLTTKADORA3ADORA1

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
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
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 2976/4885CTSL 257/4885

“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.