SCHEMBL5036607

SCHEMBL5036607

Cn1ccc2c1nc(N)n2C

nearest known ligand 0.47

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CLK4 Q9HAZ1 2/20 0.44
NTRK1 P04629 1/20 0.44
LTK P29376 1/20 0.44
TYRO3 Q06418 1/20 0.44
NTRK2 Q16620 1/20 0.44
PIK3CB P42338 2/20 0.39
PRKCI P41743 1/20 0.38
PRMT5 O14744 1/20 0.34
KDM4E B2RXH2 1/20 0.34
DHFR P00374 1/20 0.34
DAPK3 O43293 1/20 0.34
CSNK1A1 P48729 1/20 0.34
LIMK1 P53667 1/20 0.34
TNK2 Q07912 1/20 0.34
ROCK1 Q13464 1/20 0.34
DYRK1B Q9Y463 1/20 0.34
HRH4 Q9H3N8 1/20 0.34
LTB4R Q15722 1/20 0.33
MMP12 P39900 1/20 0.31
PIK3CD O00329 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
SCHEMBL5035931 0.77 KDM4E (0.41) PIK3CBPRKCIKDM4E
SCHEMBL5039569 0.75 KDM4E (0.33) PIK3CBPRKCIKDM4E
SCHEMBL14218519 0.73 KDM4E (0.53) KDM4EDHFRHRH4
SCHEMBL5039473 0.72 MEN1 (0.36) PIK3CBKDM4E
SCHEMBL5039614 0.68 MAPT (0.40) KDM4E
SCHEMBL5039678 0.68 CLK4 (0.41) CLK4NTRK1LTKTYRO3NTRK2
SCHEMBL149707 0.64 SMN1; SMN2 (0.61) PRMT5KDM4EPOLB
SCHEMBL15091312 0.64 PIK3CB (0.44) PIK3CBPRKCIDHFRHRH4
SCHEMBL5039258 0.62 PIK3CG (0.36) PIK3CBPRKCIDHFRHRH4PIK3CD
Iodide SCHEMBL336131 0.62 SMN1; SMN2 (0.59) PRMT5KDM4EPOLB

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
EP-1715840-B1 KERATIN DYEING COMPOSITIONS CONTAINING BICYCLIC FUSED 5-5 HETEROAROMATIC DYES PROCTER & GAMBLE (US) 2008-12-03 EP claimed
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 3801/4885LTK 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.