SCHEMBL5454699

SCHEMBL5454699

NNc1ncc(-c2ccnc(N)c2)c(-c2cccc(F)c2)n1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
FYN P06241 1/20 0.41
ADORA2B P29275 3/20 0.39
CDK2 P24941 2/20 0.39
MTOR P42345 1/20 0.39
CCNT1 O60563 1/20 0.39
CCNA2 P20248 1/20 0.39
CDK9 P50750 1/20 0.39
ADORA1 P30542 9/20 0.38
ADORA2A P29274 6/20 0.38
ADORA3 P0DMS8 1/20 0.38
MAPK14 Q16539 1/20 0.38
KDM4E B2RXH2 1/20 0.37
MEN1 O00255 1/20 0.37
MAPT P10636 1/20 0.37
KMT2A Q03164 1/20 0.37
PIM1 P11309 2/20 0.37
PIM2 Q9P1W9 1/20 0.37
CDC7 O00311 1/20 0.36
ROCK2 O75116 1/20 0.36
MAP4K4 O95819 1/20 0.36

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
SCHEMBL5460965 0.85 ADORA1 (0.53) FYNADORA2BCDK2CCNT1CCNA2
Ammonia Solution, Strong SCHEMBL5454694 0.84 ADORA1 (0.52) FYNADORA2BCDK2CCNT1CCNA2
SCHEMBL4053436 0.80 ADORA2B (0.60) FYNADORA2BCDK2MTORADORA1
SCHEMBL5452581 0.78 ADORA1 (0.48) FYNADORA2BCDK2ADORA1ADORA2A
SCHEMBL4059869 0.78 PIK3R1 (0.43) FYNADORA2BMTORADORA1ADORA2A
SCHEMBL5459579 0.76 ADORA1 (0.55) FYNADORA2BCDK2CCNT1CCNA2
SCHEMBL5453900 0.75 ADORA1 (0.42) ADORA2BADORA1ADORA2AADORA3MAPK14
SCHEMBL5451373 0.74 ADORA1 (0.53) FYNADORA2BADORA1ADORA2AADORA3
SCHEMBL4052377 0.74 MTOR (0.43) FYNADORA2BMTORADORA1ADORA2A
SCHEMBL5450282 0.74 WNT3A (0.45) ADORA2BADORA1ADORA2AADORA3MAPK14

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20070054876-A1 Pharmaceutical composition promoting defecation YASUDA MASAHIRO 2007-03-08 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-20070054876-A1 Pharmaceutical composition promoting defecation ADORA2B, ADORA2A, ADORA1 FYN 4325/4885ADORA2B 1/4885CDK2 2634/4885

“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.