SCHEMBL5494546

SCHEMBL5494546

Nc1ncc2ccncn12

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ABL1 P00519 2/20 0.36
LCK P06239 2/20 0.36
FYN P06241 2/20 0.36
PRKACA P17612 2/20 0.36
KDR P35968 2/20 0.36
MAP2K2 P36507 2/20 0.36
FLT3 P36888 2/20 0.36
MAPK8 P45983 2/20 0.36
CDK8 P49336 2/20 0.36
NEK2 P51955 2/20 0.36
MAP2K1 Q02750 2/20 0.36
TYRO3 Q06418 2/20 0.36
ROCK1 Q13464 2/20 0.36
MAPK14 Q16539 2/20 0.36
CLK4 Q9HAZ1 2/20 0.36
DYRK1B Q9Y463 2/20 0.36
RET P07949 1/20 0.36
FGFR1 P11362 1/20 0.36
PDGFRA P16234 1/20 0.36
MAPK9 P45984 1/20 0.36

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
SCHEMBL12920668 0.75 SSTR4 (0.37) MAPK14LIMK1SSTR4MAPTMEN1
SCHEMBL16256105 0.72 SSTR4 (0.47) SSTR4
SCHEMBL14048222 0.71 TBXAS1 (0.37) SSTR4MAPTALDH1A1TSHRTBXAS1
SCHEMBL25980003 0.71 SSTR4 (0.38) SSTR4ALDH1A1TSHRTBXAS1
SCHEMBL26634827 0.71 SSTR4 (0.35) SSTR4TBXAS1
SCHEMBL14030340 0.71 SSTR4 (0.49) SSTR4ALDH1A1TBXAS1GAA
SCHEMBL15935243 0.71 SSTR4 (0.38) SSTR4LMNASMN1; SMN2TBXAS1
SCHEMBL5498818 0.70 LMNA (0.35) LMNAMAPTHSP90AA1MEN1ALDH1A1
SCHEMBL5493382 0.68 HSP90AA1 (0.34) ABL1LCKFYNPRKACAKDR
SCHEMBL334476 0.68 KDM4E (0.55) ABL1LCKFYNPRKACAKDR

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 ABL1 4076/4885LCK 3844/4885FYN 2027/4885

“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.