SCHEMBL19409236

SCHEMBL19409236

CCn1cnc(NC)c1NC

nearest known ligand 0.34

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 3/20 0.34
ADORA1 P30542 2/20 0.34
PI4KA P42356 1/20 0.34
PI4K2B Q8TCG2 1/20 0.34
PI4K2A Q9BTU6 1/20 0.34
PI4KB Q9UBF8 1/20 0.34
CDK1 P06493 1/20 0.33
CCNB1 P14635 1/20 0.33
CCNE1 P24864 1/20 0.33
CDK2 P24941 1/20 0.33
YTHDC1 Q96MU7 5/20 0.33
PDE4A P27815 4/20 0.31
PDE4B Q07343 4/20 0.31
PDE4C Q08493 4/20 0.31
PDE4D Q08499 4/20 0.31
PDE5A O76074 2/20 0.31
PDE1A P54750 2/20 0.31
PDE1B Q01064 2/20 0.31
PDE1C Q14123 2/20 0.31
PDE3B Q13370 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
SCHEMBL19409262 0.88 PGK1 (0.34) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL19420515 0.86 SMN1; SMN2 (0.36) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL19409259 0.78 ADORA2A (0.44) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL19409257 0.78 ADORA2A (0.41) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL19409234 0.71 ALDH1A1 (0.50) CDK2YTHDC1PDE4APDE4BPDE4C
SCHEMBL19409235 0.68 SMN1; SMN2 (0.51) YTHDC1PDE4APDE4BPDE4CPDE4D
SCHEMBL19409246 0.65 SMN1; SMN2 (0.49) YTHDC1PDE4APDE4BPDE4CPDE4D
SCHEMBL1388163 0.65 PDE10A (0.35) YTHDC1PDE4APDE4BPDE4CPDE4D
SCHEMBL19409261 0.64 ADORA2A (0.43) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL19409248 0.64 ADORA2A (0.40) ADORA2AADORA1PI4KAPI4K2BPI4K2A

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-20170281501-A1 4,5-DIAMINOIMIDAZOLES AS NOVEL DEVELOPER-TYPE OXIDATION DYE PRECURSORS HENKEL AG & CO. KGAA (DE) 2017-10-05 US claimed
US-20170281501-A1 4,5-DIAMINOIMIDAZOLES AS NOVEL DEVELOPER-TYPE OXIDATION DYE PRECURSORS HENKEL AG & CO. KGAA (DE) 2017-10-05 US disclosed
US-20170281501-A1 4,5-DIAMINOIMIDAZOLES AS NOVEL DEVELOPER-TYPE OXIDATION DYE PRECURSORS HENKEL AG & CO. KGAA (DE) 2017-10-05 US disclosed
US-20170281501-A1 4,5-DIAMINOIMIDAZOLES AS NOVEL DEVELOPER-TYPE OXIDATION DYE PRECURSORS HENKEL AG & CO. KGAA (DE) 2017-10-05 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-20170281501-A1 4,5-DIAMINOIMIDAZOLES AS NOVEL DEVELOPER-TYPE OXIDATION DYE PRECURSORS KRT18, DHODH, AOC1 ADORA2A 4540/4885ADORA1 3310/4885PI4KA 2166/4885

“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.