SCHEMBL10001411

SCHEMBL10001411

CNC(=O)CCCCCN(C)C(=O)[C@H]1O[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ AHCY P23526 3/20 0.64
▸ TSHR P16473 4/20 0.64
▸ KMT2A Q03164 2/20 0.64
▸ HSP90AA1 P07900 2/20 0.64
▸ ADORA3 P0DMS8 2/20 0.64
▸ HSP90B1 P14625 2/20 0.64
▸ ADORA2A P29274 2/20 0.64
▸ ADORA2B P29275 2/20 0.64
▸ ADORA1 P30542 2/20 0.64
▸ LMNA P02545 1/20 0.64
▸ THRB P10828 1/20 0.64
▸ BLM P54132 1/20 0.64
▸ PRKACA P17612 6/20 0.60
▸ ROCK2 O75116 1/20 0.60
▸ MAPK1 P28482 2/20 0.58
▸ CYP2C19 P33261 1/20 0.58
▸ TMIGD3 P0DMS9 1/20 0.58
▸ RXFP1 Q9HBX9 1/20 0.58
▸ MEN1 O00255 1/20 0.58
▸ CYP2C9 P11712 1/20 0.58

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
SCHEMBL6899314 0.85 AHCY (0.82) AHCYTSHRKMT2AHSP90AA1ADORA3
SCHEMBL10001410 0.84 PRKACA (0.83) AHCYHSP90AA1ADORA3HSP90B1ADORA2A
SCHEMBL7851974 0.82 PARP1 (0.67) AHCYTHRBPRKACA
SCHEMBL10001413 0.79 ADORA3 (1.00) AHCYTSHRKMT2AHSP90AA1ADORA3
SCHEMBL12119006 0.79 ADORA3 (1.00) AHCYTSHRKMT2AHSP90AA1ADORA3
SCHEMBL8373480 0.76 ADORA3 (0.85) AHCYTSHRKMT2AHSP90AA1ADORA3
SCHEMBL10001407 0.75 AHCY (0.80) AHCYTSHRKMT2AHSP90AA1ADORA3
SCHEMBL29360147 0.75 PRKACA (1.00) ADORA3HSP90B1ADORA2APRKACAROCK2
SCHEMBL20579582 0.75 AHCY (1.00) AHCYTSHRKMT2AHSP90AA1ADORA3
SCHEMBL32660834 0.74 PRKACA (1.00) AHCYADORA3HSP90B1ADORA2AADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-8158376-B2 Bisubstrate fluorescent probe binding to protein kinases UNIVERSITY OF TARTU (EE) 2012-04-17 — — US disclosed
US-20100233743-A1 BISUBSTRATE FLUORESCENT PROBE BINDING TO PROTEIN KINASES UNIVERSITY OF TARTU (EE) 2010-09-16 — — 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-20100233743-A1 BISUBSTRATE FLUORESCENT PROBE BINDING TO PROTEIN KINASES ADK, PRKCH, DMPK AHCY 1747/4885TSHR 3832/4885KMT2A 2009/4885

“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.

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