SCHEMBL4949425

SCHEMBL4949425

Nc1ncc2ccn(N)n12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.34
LCK P06239 2/20 0.34
FYN P06241 2/20 0.34
PRKACA P17612 2/20 0.34
KDR P35968 2/20 0.34
MAP2K2 P36507 2/20 0.34
FLT3 P36888 2/20 0.34
MAPK8 P45983 2/20 0.34
CDK8 P49336 2/20 0.34
NEK2 P51955 2/20 0.34
MAP2K1 Q02750 2/20 0.34
TYRO3 Q06418 2/20 0.34
ROCK1 Q13464 2/20 0.34
MAPK14 Q16539 2/20 0.34
CLK4 Q9HAZ1 2/20 0.34
DYRK1B Q9Y463 2/20 0.34
AURKA O14965 1/20 0.34
DAPK3 O43293 1/20 0.34
MAP4K4 O95819 1/20 0.34
NTRK1 P04629 1/20 0.34

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
SCHEMBL4953008 0.67
SCHEMBL334476 0.65 KDM4E (0.55) ABL1LCKFYNPRKACAKDR
SCHEMBL21305165 0.58 KIF11 (0.35) ABL1LCKFYNPRKACAKDR
SCHEMBL5491174 0.58
SCHEMBL4948871 0.57
SCHEMBL4956174 0.57
SCHEMBL4912618 0.56
SCHEMBL19327434 0.55 AURKA (0.32) ABL1LCKFYNPRKACAKDR
SCHEMBL4955511 0.53
SCHEMBL4953997 0.53

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 5 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
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 ABL1 3262/4885LCK 3509/4885FYN 1892/4885

“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.