SCHEMBL5493382

SCHEMBL5493382

Nc1ncc2cnccn12

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HSP90AA1 P07900 1/20 0.34
SSTR4 P31391 1/20 0.33
LMNA P02545 1/20 0.31
MAPT P10636 1/20 0.31
ADORA2A P29274 1/20 0.31
ABL1 P00519 2/20 0.31
LCK P06239 2/20 0.31
FYN P06241 2/20 0.31
PRKACA P17612 2/20 0.31
KDR P35968 2/20 0.31
MAP2K2 P36507 2/20 0.31
FLT3 P36888 2/20 0.31
MAPK8 P45983 2/20 0.31
CDK8 P49336 2/20 0.31
NEK2 P51955 2/20 0.31
MAP2K1 Q02750 2/20 0.31
TYRO3 Q06418 2/20 0.31
ROCK1 Q13464 2/20 0.31
MAPK14 Q16539 2/20 0.31
CLK4 Q9HAZ1 2/20 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
SCHEMBL5489162 0.74 SSTR4 (0.36) SSTR4MAPT
SCHEMBL23104567 0.74 SSTR4 (0.33) SSTR4MAPT
SCHEMBL31507452 0.71 ADORA3 (0.40) SSTR4MAPTABL1PRKACAKDR
SCHEMBL16255892 0.71 SSTR4 (0.46) SSTR4
SCHEMBL334476 0.70 KDM4E (0.55) MAPTABL1LCKFYNPRKACA
SCHEMBL411661 0.69 SSTR4 (0.42) SSTR4LMNAMAPT
SCHEMBL15636217 0.69 SSTR4 (0.36) SSTR4LMNATLR7
SCHEMBL21672754 0.69 SSTR4 (0.48) SSTR4
SCHEMBL23851626 0.68 PDE1C (0.37) SSTR4MAPTKDRFLT3AURKA
Hydrochloric Acid SCHEMBL9048999 0.68 SSTR4 (0.31) SSTR4

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
US-7306631-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2007-12-11 US disclosed
EP-1732509-A1 KERATIN DYEING COMPOSITIONS BICYCLIC 5-6 HETEROAROMATIC DYEING COMPOUNDS WITH ONE RING NITROGEN JUNCTION The Procter and Gamble Company (US) 2006-12-20 EP disclosed
WO-2005097052-A1 KERATIN DYEING COMPOSITIONS BICYCLIC 5-6 HETEROAROMATIC DYEING COMPOUNDS WITH ONE RING NITROGEN JUNCTION THE PROCTER & GAMBLE COMPANY (US) 2005-10-20 WO disclosed
US-20050229333-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER & GAMBLE COMPANY, THE 2005-10-20 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-20050229333-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, CKMT1A; CKMT1B, JUP HSP90AA1 2521/4885SSTR4 4863/4885LMNA 248/4885

“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.