SCHEMBL4952907

SCHEMBL4952907

Nc1nnc2ccn(N)n12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
CHEK1 O14757 2/20 0.36
GRK5 P34947 2/20 0.36
CSNK1A1 P48729 2/20 0.36
LIMK1 P53667 2/20 0.36
TYRO3 Q06418 2/20 0.36
LRRK2 Q5S007 2/20 0.36
CLK4 Q9HAZ1 2/20 0.36
DYRK1B Q9Y463 2/20 0.36
LTK P29376 1/20 0.36
RET P07949 2/20 0.33
FGFR1 P11362 2/20 0.33
FLT1 P17948 2/20 0.33
KDR P35968 2/20 0.33
FLT3 P36888 2/20 0.33
ALK Q9UM73 2/20 0.33
PIM1 P11309 1/20 0.33
PIM3 Q86V86 1/20 0.33
AURKA O14965 1/20 0.32
DAPK3 O43293 1/20 0.32
JAK2 O60674 1/20 0.32

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
SCHEMBL4952342 0.74 CHEK1 (0.35) CHEK1GRK5CSNK1A1LIMK1TYRO3
SCHEMBL4951250 0.66 CHEK1 (0.30) CHEK1GRK5CSNK1A1LIMK1TYRO3
SCHEMBL4953008 0.65
SCHEMBL4952248 0.64
SCHEMBL4949425 0.64 ABL1 (0.34) CSNK1A1LIMK1TYRO3LRRK2CLK4
SCHEMBL558515 0.60 KDM4E (0.55) CHEK1GRK5CSNK1A1LIMK1TYRO3
Bromide SCHEMBL1186616 0.59 KDM4E (0.53) CHEK1GRK5CSNK1A1LIMK1TYRO3
SCHEMBL4951620 0.57
SCHEMBL373770 0.57
SCHEMBL24718552 0.56 BRD4 (0.56) CHEK1GRK5CSNK1A1LIMK1TYRO3

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 1068/4885GRK5 1574/4885CSNK1A1 795/4885

“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.