SCHEMBL5041971

SCHEMBL5041971

Cn1cnc2c1cc(CO)n2C

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2B P29275 5/20 0.33
ADORA2A P29274 2/20 0.33
PIK3CD O00329 1/20 0.33
POLB P06746 1/20 0.33
ADORA3 P0DMS8 1/20 0.33
CNR1 P21554 1/20 0.33
ACHE P22303 1/20 0.33
ADORA1 P30542 1/20 0.33
NTSR1 P30989 1/20 0.33
MC3R P41968 1/20 0.33
NOTUM Q6P988 1/20 0.33
SIRT3 Q9NTG7 1/20 0.33
GDA Q9Y2T3 1/20 0.33
NR2E1 Q9Y466 1/20 0.33
CYP3A4 P08684 2/20 0.33
MEN1 O00255 1/20 0.33
CYP1A2 P05177 1/20 0.33
CYP2C19 P33261 1/20 0.33
KMT2A Q03164 1/20 0.33
LMNA P02545 1/20 0.32

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
SCHEMBL5039984 0.86 CTSS (0.34) ADORA2BADORA2APIK3CDPOLBADORA3
SCHEMBL5036006 0.66 ABCB11 (0.33) CYP3A4MEN1CYP1A2CYP2C19KMT2A
SCHEMBL5039424 0.66 MEN1 (0.32) CYP3A4MEN1CYP1A2CYP2C19KMT2A
SCHEMBL5036172 0.65 KDM4E (0.46) MAPK1MAPT
SCHEMBL17418866 0.63 HSD17B10 (0.44) CNR1CYP3A4MEN1CYP1A2CYP2C19
SCHEMBL5039585 0.63 SMN1; SMN2 (0.36) MEN1CYP1A2KMT2ALMNAALDH1A1
SCHEMBL31701644 0.62 ELANE (0.34) CYP3A4MEN1CYP1A2CYP2C19KMT2A
SCHEMBL541672 0.62 NPC1 (0.52) POLBMEN1KMT2ALMNAALDH1A1
SCHEMBL5041891 0.62 DPP4 (0.32) POLBKMT2AALDH1A1MAPT
SCHEMBL29981669 0.62 MEN1 (0.35) CYP3A4MEN1CYP1A2CYP2C19KMT2A

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 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1715840-B1 KERATIN DYEING COMPOSITIONS CONTAINING BICYCLIC FUSED 5-5 HETEROAROMATIC DYES PROCTER & GAMBLE (US) 2008-12-03 EP claimed
EP-1715840-B1 KERATIN DYEING COMPOSITIONS CONTAINING BICYCLIC FUSED 5-5 HETEROAROMATIC DYES PROCTER & GAMBLE (US) 2008-12-03 EP disclosed
US-7303590-B2 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof THE PROCTER & GAMBLE COMPANY (US) 2007-12-04 US disclosed
EP-1715840-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter and Gamble Company (US) 2006-11-02 EP disclosed
US-20050193502-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof PROCTER, GAMBLE COMPANY, THE 2005-09-08 US disclosed
WO-2005077324-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2005-08-25 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-20050193502-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, KLK5, CKMT1A; CKMT1B ADORA2B 4755/4885ADORA2A 4828/4885PIK3CD 2332/4885

“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.