SCHEMBL1362399

SCHEMBL1362399

Cc1cc(C(=O)c2c[nH]c3ncc(-c4cccc(C=CC(=O)O)c4)cc23)no1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
AXL P30530 6/20 0.46
BRD4 O60885 2/20 0.45
AAK1 Q2M2I8 2/20 0.44
PIM2 Q9P1W9 1/20 0.42
ITK Q08881 4/20 0.41
BTK Q06187 3/20 0.41
NEK1 Q96PY6 1/20 0.41
CAMKK2 Q96RR4 1/20 0.40
IP6K1 Q92551 1/20 0.40
IP6K3 Q96PC2 1/20 0.40
IP6K2 Q9UHH9 1/20 0.40
CDC7 O00311 1/20 0.40
PLK4 O00444 1/20 0.40
CHEK1 O14757 1/20 0.40
AURKA O14965 1/20 0.40
MAPK13 O15264 1/20 0.40
PDPK1 O15530 1/20 0.40
DYRK3 O43781 1/20 0.40
ROCK2 O75116 1/20 0.40
RPS6KA5 O75582 1/20 0.40

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
SCHEMBL858906 1.00 AXL (0.46) AXLBRD4AAK1PIM2ITK
SCHEMBL859107 0.84 AXL (0.45) AXLBRD4AAK1PIM2ITK
SCHEMBL1364902 0.84 AXL (0.45) AXLBRD4AAK1PIM2ITK
SCHEMBL857598 0.83 KIT (0.54) AXLBRD4AAK1ITKBTK
SCHEMBL1363899 0.81 PIM2 (0.44) PIM2IP6K1IP6K3IP6K2EGFR
SCHEMBL858149 0.81 PIM2 (0.44) PIM2IP6K1IP6K3IP6K2EGFR
SCHEMBL858485 0.80 NTRK1 (0.58) AXLITKBTKCHEK1NTRK1
SCHEMBL1362188 0.80 PAK1 (0.54) AXLAAK1PIM2ITKBTK
SCHEMBL856825 0.80 PAK1 (0.54) AXLAAK1PIM2ITKBTK
SCHEMBL858801 0.80 BRD4 (0.60) AXLBRD4AAK1NEK1PDPK1

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
US-8067434-B2 Compounds and methods for development of Ret modulators PLEXXIKON INC. (US) 2011-11-29 US claimed
US-20100324065-A1 Compounds and methods for development of Ret Modulators PLEXXIKON INC 2010-12-23 US claimed
US-7504509-B2 Compounds and methods for development of Ret modulators PLEXXIKON, INC. (US) 2009-03-17 US claimed

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-20100324065-A1 Compounds and methods for development of Ret Modulators RET, GFRA3, GFRA1 AXL 38/4885BRD4 2811/4885AAK1 2341/4885

“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.