SCHEMBL12564555

SCHEMBL12564555

COc1ccc(C)c2c1CCN(C)C2=O

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTR2A P28223 1/20 0.49
▸ HTR2C P28335 1/20 0.49
▸ HTR2B P41595 1/20 0.49
▸ GAA P10253 2/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ ALDH1A1 P00352 1/20 0.47
▸ GLA P06280 1/20 0.47
▸ HPGD P15428 1/20 0.47
▸ MEN1 O00255 1/20 0.45
▸ KMT2A Q03164 1/20 0.45
▸ ACHE P22303 1/20 0.41
▸ PARP1 P09874 1/20 0.40
▸ CYP19A1 P11511 1/20 0.40
▸ NQO2 P16083 1/20 0.40
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ POLL Q9UGP5 1/20 0.38
▸ DRD2 P14416 1/20 0.38
▸ DRD1 P21728 1/20 0.38
▸ LMNA P02545 1/20 0.38
▸ POLB P06746 1/20 0.38

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
SCHEMBL31104146 0.84 HTR2A (0.48) HTR2AHTR2CHTR2BGAAKDM4E
SCHEMBL1449594 0.79 SIRT6 (0.44) HTR2AHTR2CHTR2BGAAKDM4E
SCHEMBL12564211 0.78 POLB (0.37) HTR2AHTR2CHTR2BALDH1A1MEN1
SCHEMBL2722930 0.75 KDM4E (0.76) HTR2AHTR2CHTR2BGAAKDM4E
SCHEMBL12740890 0.74 LRRK2 (0.35) HTR2BALDH1A1MEN1KMT2ASMN1; SMN2
SCHEMBL9448294 0.73 ALDH1A1 (0.62) HTR2AHTR2CHTR2BGAAKDM4E
SCHEMBL23231158 0.73 POLB (0.61) HTR2AHTR2CHTR2BALDH1A1MEN1
SCHEMBL15831630 0.71 EZH2 (0.52) HTR2AHTR2CHTR2BGAAKDM4E
SCHEMBL2030379 0.70 RAB9A (0.44) HTR2AHTR2CHTR2BGAAKDM4E
SCHEMBL28598103 0.70 MEN1 (0.54) HTR2AHTR2CHTR2BGAAMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1784399-B1 PYRIMIDINE DERIVATIVES NOVARTIS AG (CH) 2011-06-15 — — EP disclosed
US-7910585-B2 Pyrimidine derivatives NOVARTIS AG (CH) 2011-03-22 — — US disclosed
US-7910585-B2 Pyrimidine derivatives NOVARTIS AG (CH) 2011-03-22 — — US disclosed
US-20080293708-A1 Pyrimidine Derivatives NOVARTIS AG (CH) 2008-11-27 — — US disclosed
US-20080293708-A1 Pyrimidine Derivatives NOVARTIS AG (CH) 2008-11-27 — — 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-20080293708-A1 Pyrimidine Derivatives DPYD, TYMP, TYMS HTR2A 2876/4885HTR2C 2779/4885HTR2B 2132/4885

“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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