SCHEMBL4948852

SCHEMBL4948852

CCOn1cnc2c(N)ncn21

nearest known ligand 0.31

Predicted protein targets (top 10)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.31
ADORA1 P30542 1/20 0.31
PI4KA P42356 1/20 0.31
PI4K2B Q8TCG2 1/20 0.31
PI4K2A Q9BTU6 1/20 0.31
PI4KB Q9UBF8 1/20 0.31
CDK1 P06493 1/20 0.30
CCNB1 P14635 1/20 0.30
CCNE1 P24864 1/20 0.30
CDK2 P24941 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
SCHEMBL4954980 0.79 ADORA2A (0.34) ADORA2AADORA1
SCHEMBL4955408 0.72 CDK1 (0.32) CDK1CCNB1CCNE1CDK2
SCHEMBL4952922 0.69 ADORA2A (0.32) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL4951640 0.66
SCHEMBL4949159 0.65 NUDT1 (0.32)
SCHEMBL4951102 0.64
SCHEMBL4955110 0.63 MEN1 (0.30)
SCHEMBL4912917 0.62
SCHEMBL5489481 0.60 ADORA2A (0.30) ADORA2A
SCHEMBL5484432 0.60 ADORA2A (0.30) ADORA2A

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
US-7341606-B2 Medium and bicyclic fused 5-5-membered aza heteroaromatic derivative having ring junction nitrogen and N-hydroxy or N-amino group as developer and coupler; safe; kits THE PROCTER & GAMBLE COMPANY (US) 2008-03-11 US claimed
US-20070050923-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof WELLA OPERATIONS US, LLC 2007-03-08 US claimed
US-7341606-B2 Medium and bicyclic fused 5-5-membered aza heteroaromatic derivative having ring junction nitrogen and N-hydroxy or N-amino group as developer and coupler; safe; kits THE PROCTER & GAMBLE COMPANY (US) 2008-03-11 US disclosed
EP-1796615-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF The Procter & Gamble Company (US) 2007-06-20 EP disclosed
US-20070050923-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof WELLA OPERATIONS US, LLC 2007-03-08 US disclosed
WO-2006026433-A1 KERATIN DYEING COMPOUNDS, KERATIN DYEING COMPOSITIONS CONTAINING THEM, AND USE THEREOF THE PROCTER & GAMBLE COMPANY (US) 2006-03-09 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-20070050923-A1 Keratin dyeing compounds, keratin dyeing compositions containing them, and use thereof KRT18, NOX5, JUP ADORA2A 4612/4885ADORA1 4597/4885PI4KA 2177/4885

“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.