SCHEMBL5041894

SCHEMBL5041894

Cn1c(N)nc2occc21

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 2/20 0.43
NTRK1 P04629 1/20 0.43
LTK P29376 1/20 0.43
TYRO3 Q06418 1/20 0.43
NTRK2 Q16620 1/20 0.43
PRMT5 O14744 1/20 0.33
DAPK3 O43293 1/20 0.33
CSNK1A1 P48729 1/20 0.33
LIMK1 P53667 1/20 0.33
TNK2 Q07912 1/20 0.33
ROCK1 Q13464 1/20 0.33
DYRK1B Q9Y463 1/20 0.33
KDM4E B2RXH2 1/20 0.33
MMP12 P39900 1/20 0.33
LTB4R Q15722 1/20 0.32
ADORA2A P29274 2/20 0.31
ADORA2B P29275 2/20 0.31
ADORA1 P30542 2/20 0.31
ADORA3 P0DMS8 1/20 0.30
CDK9 P50750 1/20 0.30

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
SCHEMBL5039810 0.73 KDM4E (0.34) KDM4E
SCHEMBL5039847 0.68 CLK4 (0.39) CLK4NTRK1LTKTYRO3NTRK2
SCHEMBL5039596 0.65 CLK4 (0.38) CLK4NTRK1LTKTYRO3NTRK2
SCHEMBL5036416 0.63
SCHEMBL149707 0.63 SMN1; SMN2 (0.61) PRMT5KDM4E
SCHEMBL12946375 0.62 MMP12 (0.50) CLK4NTRK1LTKTYRO3NTRK2
SCHEMBL5036607 0.61 CLK4 (0.44) CLK4NTRK1LTKTYRO3NTRK2
Iodide SCHEMBL336130 0.61 SMN1; SMN2 (0.59) PRMT5KDM4E
SCHEMBL5040102 0.61 KDM1A (0.43) CDK9DYRK1A
Iodide SCHEMBL336131 0.61 SMN1; SMN2 (0.59) PRMT5KDM4E

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 8 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
EP-1715840-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2006-11-02 EP disclosed
US-20050193502-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER, GAMBLE COMPANY, THE 2005-09-08 US disclosed
WO-2005077324-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2005-08-25 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-20050193502-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, KLK5, CKMT1A; CKMT1B CLK4 984/4885NTRK1 3801/4885LTK 4647/4885

“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.