SCHEMBL4953407

SCHEMBL4953407

CCOn1ccc2nnc(N)n21

nearest known ligand 0.31

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 1/20 0.31
LTK P29376 1/20 0.31
GRK5 P34947 1/20 0.31
CSNK1A1 P48729 1/20 0.31
LIMK1 P53667 1/20 0.31
TYRO3 Q06418 1/20 0.31
LRRK2 Q5S007 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
DYRK1B Q9Y463 1/20 0.31

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
SCHEMBL4951575 0.73 MEN1 (0.31)
SCHEMBL4949434 0.71
SCHEMBL4953118 0.71 CYP1A2 (0.31)
SCHEMBL4951250 0.69 CHEK1 (0.30) CHEK1LTKGRK5CSNK1A1LIMK1
SCHEMBL4949367 0.68
SCHEMBL4952907 0.67 CHEK1 (0.36) CHEK1LTKGRK5CSNK1A1LIMK1
SCHEMBL4952342 0.66 CHEK1 (0.35) CHEK1LTKGRK5CSNK1A1LIMK1
SCHEMBL4953821 0.66 KDM4E (0.31)
SCHEMBL4951625 0.65 CHEK1 (0.32) CHEK1LTKGRK5CSNK1A1LIMK1
SCHEMBL4951291 0.64 LMNA (0.30)

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
US-7341606-B2 Medium and bicyclic fused 5-5-membered aza heteroaromatic derivative having ring junction nitrogen and N-hydroxy or N-amino group as developer and coupler; safe; kits THE PROCTER & GAMBLE COMPANY (US) 2008-03-11 US claimed
US-20070050923-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof WELLA OPERATIONS US, LLC 2007-03-08 US claimed
US-7341606-B2 Medium and bicyclic fused 5-5-membered aza heteroaromatic derivative having ring junction nitrogen and N-hydroxy or N-amino group as developer and coupler; safe; kits THE PROCTER & GAMBLE COMPANY (US) 2008-03-11 US disclosed
EP-1796615-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter & Gamble Company (US) 2007-06-20 EP disclosed
US-20070050923-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof WELLA OPERATIONS US, LLC 2007-03-08 US disclosed
WO-2006026433-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2006-03-09 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-20070050923-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, NOX5, JUP CHEK1 1068/4885LTK 3937/4885GRK5 1574/4885

“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.