SCHEMBL5041289

SCHEMBL5041289

Cn1c(N)nc2sccc21

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 4/20 1.00
NTRK1 P04629 3/20 1.00
NTRK2 Q16620 3/20 1.00
LTK P29376 2/20 1.00
TYRO3 Q06418 2/20 1.00
DAPK3 O43293 3/20 0.44
CSNK1A1 P48729 3/20 0.44
LIMK1 P53667 3/20 0.44
TNK2 Q07912 3/20 0.44
DYRK1B Q9Y463 3/20 0.44
ROCK1 Q13464 2/20 0.44
HTR1A P08908 1/20 0.39
HTR2C P28335 1/20 0.39
KDM4E B2RXH2 2/20 0.37
CHEK1 O14757 2/20 0.33
AURKA O14965 2/20 0.33
JAK2 O60674 2/20 0.33
ABL1 P00519 2/20 0.33
CSF1R P07333 2/20 0.33
RET P07949 2/20 0.33

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
SCHEMBL5039477 0.78 NTRK1 (0.63) CLK4NTRK1NTRK2LTKTYRO3
SCHEMBL5044397 0.76 NTRK1 (0.61) CLK4NTRK1NTRK2LTKTYRO3
SCHEMBL5039843 0.73 NTRK1 (0.58) CLK4NTRK1NTRK2LTKTYRO3
SCHEMBL5044524 0.72 NTRK1 (0.56) CLK4NTRK1NTRK2LTKTYRO3
SCHEMBL5039968 0.68 CLK4 (0.60) CLK4NTRK1NTRK2LTKTYRO3
SCHEMBL5039241 0.65 CLK4 (0.61) CLK4NTRK1NTRK2LTKTYRO3
SCHEMBL149707 0.63 SMN1; SMN2 (0.61) KDM4EGSK3BPRMT5NPC1ALDH1A1
SCHEMBL844706 0.61 NTRK1 (0.43) CLK4NTRK1NTRK2LTKTYRO3
SCHEMBL23346809 0.61 NTRK1 (0.44) CLK4NTRK1NTRK2LTKTYRO3
Iodide SCHEMBL336131 0.61 SMN1; SMN2 (0.59) KDM4EGSK3BPRMT5NPC1ALDH1A1

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1715840-B1 KERATIN DYEING COMPOSITIONS CONTAINING BICYCLIC FUSED 5-5 HETEROAROMATIC DYES PROCTER & GAMBLE (US) 2008-12-03 EP claimed
US-9812315-B2 Treating solution for electronic parts, and process for producing electronic parts FINE POLYMERS CORPORATION (JP) 2017-11-07 US disclosed
US-20150279654-A1 TREATING SOLUTION FOR ELECTRONIC PARTS, AND PROCESS FOR PRODUCING ELECTRONIC PARTS FINE POLYMERS CORPORATION (JP) 2015-10-01 US disclosed
EP-1715840-B1 KERATIN DYEING COMPOSITIONS CONTAINING BICYCLIC FUSED 5-5 HETEROAROMATIC DYES PROCTER & GAMBLE (US) 2008-12-03 EP disclosed
US-7303590-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2007-12-04 US disclosed
US-20050193502-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER, GAMBLE COMPANY, THE 2005-09-08 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-20050193502-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, KLK5, CKMT1A; CKMT1B CLK4 984/4885NTRK1 3801/4885NTRK2 4197/4885

“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.