SCHEMBL4471444

SCHEMBL4471444

Cn1cc(-c2cn(S)c3ncc(C4=CCC(c5ccccc5)CC4)cc23)cn1

nearest known ligand 0.35

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BRD4 O60885 1/20 0.35
PTPN11 Q06124 1/20 0.35
ALK Q9UM73 2/20 0.35
RET P07949 1/20 0.34
AXL P30530 3/20 0.34
MERTK Q12866 1/20 0.34
TNKS O95271 1/20 0.33
TYRO3 Q06418 1/20 0.33
IRAK1 P51617 3/20 0.33
IRAK4 Q9NWZ3 2/20 0.33
GRM2 Q14416 1/20 0.33
ADRA2A P08913 1/20 0.32
ADRA1A P35348 1/20 0.32
METAP2 P50579 1/20 0.32
MAPK1 P28482 2/20 0.32
PSEN1 P49768 1/20 0.32
PSEN2 P49810 1/20 0.32
APH1B Q8WW43 1/20 0.32
NCSTN Q92542 1/20 0.32
APH1A Q96BI3 1/20 0.32

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
SCHEMBL4471182 0.84 PTPN11 (0.34) BRD4PTPN11ALKAXLMERTK
SCHEMBL2753218 0.84 PDPK1 (0.43) BRD4PTPN11RETPDPK1
SCHEMBL4457497 0.82 MAPK8 (0.43) BRD4RETAXLMERTKTYRO3
SCHEMBL10227411 0.82 ALK (0.34) PTPN11ALKAXLMERTKIRAK1
SCHEMBL2753961 0.81 ALK (0.55) ALKPDPK1
SCHEMBL4465826 0.79 ACVR1 (0.44) PTPN11IRAK4
SCHEMBL4454293 0.78 MAPK8 (0.43) PTPN11RETIRAK1IRAK4
SCHEMBL4471983 0.78 PSMB5 (0.39) BRD4ALKAXLMERTK
SCHEMBL4472998 0.77 PSMB5 (0.44) BRD4ALKAXLMERTK
SCHEMBL4458424 0.76 PSMB5 (0.43) BRD4ALKAXLMERTK

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-8178552-B2 7-Azaindole derivatives and their use in the inhibition of c-Jun N-terminal kinase EISAI R&D MANAGEMENT CO., LTD. (JP) 2012-05-15 US disclosed
US-20100069354-A1 7-AZAINDOLE DERIVATIVES AND THEIR USE IN THE INHIBITION OF C-JUN N-TERMINAL KINASE EISAI R&D MANAGEMENT CO., LTD. (JP) 2010-03-18 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-20100069354-A1 7-AZAINDOLE DERIVATIVES AND THEIR USE IN THE INHIBITION OF C-JUN N-TERMINAL KINASE MAPK7, MAPK13, MAPKAPK5 BRD4 780/4885PTPN11 382/4885ALK 1981/4885

“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.