SCHEMBL25899284

SCHEMBL25899284

CC(C)c1c(N)c2ccncc2n1C

nearest known ligand 0.39

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA3 P0DMS8 1/20 0.39
ADORA2A P29274 1/20 0.39
DYRK1A Q13627 4/20 0.39
GSK3B P49841 3/20 0.39
NFATC1 O95644 2/20 0.39
AAK1 Q2M2I8 3/20 0.37
ROCK2 O75116 2/20 0.36
KCNH2 Q12809 2/20 0.36
CDC7 O00311 1/20 0.36
CDK2 P24941 1/20 0.36
HASPIN Q8TF76 3/20 0.33
CYP1A2 P05177 2/20 0.33
PRKCB P05771 1/20 0.33
PRKCA P17252 1/20 0.33
PRKCH P24723 1/20 0.33
PRKCE Q02156 1/20 0.33
PRKCQ Q04759 1/20 0.33
PRKCD Q05655 1/20 0.33
HTR2A P28223 1/20 0.33
HTR2C P28335 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
SCHEMBL29856149 0.76 ERN1 (0.39) ADORA3ADORA2ADYRK1AGSK3BNFATC1
SCHEMBL1609661 0.73 ADORA3 (0.54) ADORA3ADORA2ADYRK1AGSK3BNFATC1
SCHEMBL25617163 0.71 TOP2A (0.37) ADORA3ADORA2ADYRK1AGSK3BNFATC1
SCHEMBL29856230 0.70 ROCK2 (0.42) ADORA3ADORA2AROCK2LMNAMAPT
SCHEMBL23229478 0.68 DYRK1A (0.36) DYRK1AGSK3BNFATC1KCNH2HASPIN
SCHEMBL2628358 0.67 ADORA3 (0.49) ADORA3ADORA2ADYRK1AGSK3BNFATC1
SCHEMBL9968083 0.67 ADORA3 (0.40) ADORA3ADORA2ADYRK1AGSK3BNFATC1
SCHEMBL23380303 0.67 DYRK1A (0.42) ADORA3ADORA2ADYRK1AGSK3BNFATC1
SCHEMBL14191776 0.66 ADORA3 (0.51) ADORA3ADORA2ADYRK1AGSK3BNFATC1
SCHEMBL30929605 0.66 GPR3 (0.64) ADORA3ADORA2ADYRK1AGSK3BNFATC1

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-11702409-B2 Pyrazolyl derivatives useful as anti-cancer agents NOVARTIS AG (CH) 2023-07-18 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-11702409-B2 Pyrazolyl derivatives useful as anti-cancer agents PAK5, CYP51A1, SF3B5 ADORA3 1182/4885ADORA2A 2161/4885DYRK1A 2563/4885

“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.