SCHEMBL5487170

SCHEMBL5487170

Nc1ccc2cccnn12

nearest known ligand 0.35

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
IRAK4 Q9NWZ3 1/20 0.35
POLB P06746 1/20 0.33
MKNK1 Q9BUB5 1/20 0.32
ALDH1A1 P00352 1/20 0.31
PKM P14618 1/20 0.31
HSP90AA1 P07900 1/20 0.31
HSP90AB1 P08238 1/20 0.31
IDO1 P14902 1/20 0.31
PSMB5 P28074 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
SCHEMBL3980581 0.82 POLB (0.38) POLBALDH1A1PKM
Hydrochloric Acid SCHEMBL31352065 0.80 POLB (0.36) POLBALDH1A1PKM
SCHEMBL14616502 0.74 IRAK4 (0.35) IRAK4MKNK1
SCHEMBL21388624 0.72 IRAK4 (0.35) IRAK4
SCHEMBL9101865 0.70 IRAK4 (0.54) IRAK4MKNK1
SCHEMBL5493888 0.70 DYRK1A (0.41) MKNK1
SCHEMBL15158206 0.68 KDM4D (0.33) IRAK4
SCHEMBL15070853 0.68 IRAK4 (0.33) IRAK4
SCHEMBL2392859 0.65 MKNK1 (0.53) MKNK1ALDH1A1PKM
SCHEMBL6445770 0.65 EGLN2 (0.46) POLBMKNK1ALDH1A1

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-7306631-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2007-12-11 US disclosed
CN-1937995-A Keratin dyeing compositions comprising bicyclic 5-6 heteroaromatic dyeing compounds containing a ring-connected nitrogen atom PROCTER & GAMBLE (US) 2007-03-28 CN 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 IRAK4 4605/4885POLB 868/4885MKNK1 704/4885

“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.