SCHEMBL12475771

SCHEMBL12475771

CC(OCc1ccccc1)C(=O)N1c2cccc(F)c2CC1C

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
▸ AGTR2 P50052 1/20 0.41
▸ TSHR P16473 1/20 0.39
▸ NPSR1 Q6W5P4 1/20 0.39
▸ AKT1 P31749 4/20 0.39
▸ DRD4 P21917 3/20 0.36
▸ DRD2 P14416 2/20 0.36
▸ KDM4E B2RXH2 1/20 0.36
▸ TP53 P04637 2/20 0.36
▸ HTR2C P28335 1/20 0.36
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ GAA P10253 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ AADAT Q8N5Z0 1/20 0.35
▸ BRD4 O60885 1/20 0.35

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
SCHEMBL12475768 1.00 AGTR2 (0.41) AGTR2TSHRNPSR1AKT1DRD4
SCHEMBL15317571 0.88 AKT1 (0.39) AGTR2TSHRNPSR1AKT1DRD4
SCHEMBL15317572 0.83 NPSR1 (0.41) TSHRNPSR1DRD4DRD2KDM4E
SCHEMBL15317570 0.80 ALDH1A1 (0.47) TSHRNPSR1DRD4DRD2KDM4E
SCHEMBL15317575 0.80 DRD2 (0.44) TSHRNPSR1AKT1DRD4DRD2
SCHEMBL12476371 0.74 DRD2 (0.49) DRD4DRD2
SCHEMBL12476375 0.74 DRD2 (0.49) DRD4DRD2
SCHEMBL12475608 0.72 ACE (0.45) DRD4DRD2
SCHEMBL12475612 0.72 ACE (0.45) DRD4DRD2
SCHEMBL12476047 0.71 TSHR (0.44) TSHRNPSR1AKT1MEN1KMT2A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2658844-B1 NOVEL PYRIMIDINE DERIVATIVES, PREPARATION THEREOF, AND PHARMACEUTICAL USE THEREOF AS AKT(PKB) PHOSPHORYLATION INHIBITORS SANOFI SA (FR) 2016-10-26 — — EP disclosed
US-9133168-B2 Pyrimidine derivatives, preparation thereof, and pharmaceutical use thereof as akt(pkb) phosphorylation inhibitors SANOFI (FR) 2015-09-15 — — US disclosed
EP-2658844-A1 NOVEL PYRIMIDINE DERIVATIVES, PREPARATION THEREOF, AND PHARMACEUTICAL USE THEREOF AS AKT(PKB) PHOSPHORYLATION INHIBITORS SANOFI (FR) 2013-11-06 — — EP disclosed
US-20130274253-A1 NOVEL PYRIMIDINE DERIVATIVES, PREPARATION THEREOF, AND PHARMACEUTICAL USE THEREOF AS AKT(PKB) PHOSPHORYLATION INHIBITORS SANOFI (FR) 2013-10-17 — — US disclosed
WO-2012089633-A9 NOVEL PYRIMIDINE DERIVATIVES, PREPARATION THEREOF, AND PHARMACEUTICAL USE THEREOF AS AKT(PKB) PHOSPHORYLATION INHIBITORS SANOFI (FR) 2012-08-23 — — WO disclosed
WO-2012089633-A1 NOVEL PYRIMIDINE DERIVATIVES, PREPARATION THEREOF, AND PHARMACEUTICAL USE THEREOF AS AKT(PKB) PHOSPHORYLATION INHIBITORS SANOFI (FR) 2012-07-05 — — WO 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-20130274253-A1 NOVEL PYRIMIDINE DERIVATIVES, PREPARATION THEREOF, AND PHARMACEUTICAL USE THEREOF AS AKT(PKB) PHOSPHORYLATION INHIBITORS TYMP, PIK3CA, PDPK1 AGTR2 4322/4885TSHR 4127/4885NPSR1 3644/4885

“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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