SCHEMBL5487376

SCHEMBL5487376

Oc1cn2ccnc2cn1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
DYRK1A Q13627 4/20 0.40
KEAP1 Q14145 1/20 0.40
MEN1 O00255 1/20 0.38
CYP1A2 P05177 1/20 0.38
KMT2A Q03164 1/20 0.38
DAO P14920 1/20 0.35
NAMPT P43490 1/20 0.35
TGFBR1 P36897 4/20 0.33
CPB2 Q96IY4 1/20 0.31
MAOB P27338 1/20 0.31
NUDT1 P36639 1/20 0.31
PIK3CG P48736 1/20 0.31
SYK P43405 1/20 0.31
MCHR1 Q99705 1/20 0.31
CLK1 P49759 1/20 0.31
MET P08581 1/20 0.30
TGFBR2 P37173 1/20 0.30
RET P07949 1/20 0.30

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
SCHEMBL2629380 0.76 TGFBR1 (0.43) DYRK1AKEAP1MEN1CYP1A2KMT2A
SCHEMBL27389547 0.74 DYRK1A (0.40) DYRK1AKEAP1MEN1CYP1A2KMT2A
SCHEMBL11266549 0.74 DYRK1A (0.40) DYRK1AKEAP1MEN1CYP1A2KMT2A
SCHEMBL599662 0.74 DYRK1A (0.40) DYRK1AKEAP1MEN1CYP1A2KMT2A
SCHEMBL5488750 0.74 DYRK1A (0.47) DYRK1AKEAP1MEN1CYP1A2KMT2A
SCHEMBL22492715 0.74 DYRK1A (0.37) DYRK1AKEAP1MEN1CYP1A2KMT2A
SCHEMBL10185196 0.72 NAMPT (0.48) DYRK1AKEAP1MEN1CYP1A2KMT2A
SCHEMBL30549526 0.71 TGFBR1 (0.44) DYRK1AKEAP1MEN1KMT2ANAMPT
SCHEMBL24574151 0.71 DYRK1A (0.35) DYRK1AKEAP1MEN1CYP1A2KMT2A
SCHEMBL21500646 0.71 NAMPT (0.44) DYRK1AKEAP1MEN1CYP1A2KMT2A

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 DYRK1A 2166/4885KEAP1 146/4885MEN1 4802/4885

“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.