SCHEMBL19409227

SCHEMBL19409227

CCn1cnc(N)c1NC(C)=O

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 2/20 0.39
ADORA1 P30542 1/20 0.39
PI4KA P42356 1/20 0.39
PI4K2B Q8TCG2 1/20 0.39
PI4K2A Q9BTU6 1/20 0.39
PI4KB Q9UBF8 1/20 0.39
CDK1 P06493 2/20 0.38
CCNB1 P14635 2/20 0.38
CCNE1 P24864 2/20 0.38
CDK2 P24941 2/20 0.38
MAPT P10636 1/20 0.36
TDP1 Q9NUW8 2/20 0.35
L3MBTL1 Q9Y468 1/20 0.34
POLB P06746 2/20 0.34
NPC1 O15118 2/20 0.34
RAB9A P51151 2/20 0.34
MEN1 O00255 1/20 0.33
LMNA P02545 1/20 0.33
CYP1A2 P05177 1/20 0.33
KMT2A Q03164 1/20 0.33

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
SCHEMBL19409220 0.77 ALDH1A1 (0.44) ADORA2AADORA1MAPTL3MBTL1NPC1
SCHEMBL19409259 0.77 ADORA2A (0.44) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL19409223 0.77 ADORA2A (0.36) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL19409261 0.75 ADORA2A (0.43) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL7988189 0.70 ADORA2A (0.42) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL14275408 0.70 L3MBTL1 (0.34) MAPTTDP1L3MBTL1POLBNPC1
SCHEMBL19409224 0.70 ADORA2A (0.39) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL10076896 0.69 CDK1 (0.58) ADORA2AADORA1PI4KAPI4K2BPI4K2A
SCHEMBL12835589 0.68
SCHEMBL9364010 0.67 ALDH1A1 (0.36) 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.