SCHEMBL2953044

SCHEMBL2953044

Cc1cc(C(=O)NCCc2ccncc2)ccc1Nc1nc(NC2CCCCC2)c2nc[nH]c2n1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MERTK Q12866 3/20 0.42
AXL P30530 1/20 0.42
TYRO3 Q06418 3/20 0.41
TTK P33981 2/20 0.41
NPC1 O15118 1/20 0.40
RAB9A P51151 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
CTSL P07711 5/20 0.39
CTSS P25774 5/20 0.39
CTSK P43235 4/20 0.39
CLK1 P49759 1/20 0.39
CLK2 P49760 1/20 0.39
ADORA3 P0DMS8 1/20 0.39
ADORA1 P30542 1/20 0.39
PLK1 P53350 2/20 0.38
BRD4 O60885 1/20 0.38
BRDT Q58F21 1/20 0.38
PLK3 Q9H4B4 1/20 0.38
PLK2 Q9NYY3 1/20 0.38
CNR2 P34972 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
SCHEMBL2951201 0.91 MERTK (0.41) MERTKAXLTYRO3TTKCTSL
SCHEMBL2956369 0.88 ALDH1A1 (0.44) MERTKAXLTYRO3TTKNPC1
SCHEMBL2955746 0.87 ALOX15 (0.49) MERTKAXLTTKCLK1CLK2
SCHEMBL2953479 0.84 MERTK (0.47) MERTKAXLTYRO3TTKCLK1
SCHEMBL2949092 0.84 MERTK (0.46) MERTKAXLTYRO3TTKCLK1
SCHEMBL2951457 0.83 TTK (0.48) MERTKAXLTTKCLK1CLK2
SCHEMBL2953399 0.81 TYRO3 (0.53) MERTKAXLTYRO3
SCHEMBL2946205 0.79 MERTK (0.48) MERTKAXLTYRO3TTKCLK1
SCHEMBL4975672 0.79 TTK (0.49) MERTKAXLTTKADORA3ADORA1
SCHEMBL2947179 0.78 TTK (0.50) MERTKAXLTTKAURKAAURKB

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
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

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.