SCHEMBL12476101

SCHEMBL12476101

COc1nc(CC(=O)O)nc(N2CCOCC2)c1F

nearest known ligand 0.42

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
▸ KMT2A Q03164 1/20 0.42
▸ KDM4E B2RXH2 4/20 0.41
▸ ALDH1A1 P00352 4/20 0.41
▸ SMN1; SMN2 Q16637 1/20 0.41
▸ HPGD P15428 2/20 0.40
▸ KCNQ3 O43525 2/20 0.40
▸ KCNQ2 O43526 2/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2D6 P10635 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40
▸ TDP1 Q9NUW8 1/20 0.40
▸ MAPT P10636 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ HSD17B10 Q99714 1/20 0.39
▸ HTT P42858 2/20 0.37
▸ MTOR P42345 1/20 0.36
▸ AKT1 P31749 7/20 0.36
▸ NPSR1 Q6W5P4 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
SCHEMBL12475655 0.89 ALDH1A1 (0.43) KMT2AKDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL12475584 0.76 AKT1 (0.66) AKT1
SCHEMBL12476052 0.75 AKT1 (0.66) ALDH1A1HSD17B10AKT1
SCHEMBL12475922 0.74 KCNQ3 (0.41) KMT2AKDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL12475678 0.71 AKT1 (0.59) AKT1
SCHEMBL12475841 0.71 CYP2C19 (0.50) KMT2AKDM4EALDH1A1SMN1; SMN2HPGD
SCHEMBL12475830 0.69 AKT1 (0.60) AKT1
SCHEMBL12475881 0.68 AKT1 (0.46) AKT1
SCHEMBL24920385 0.67 PDE10A (0.52) KMT2AKDM4EALDH1A1CYP1A2CYP2D6
SCHEMBL26646952 0.67 MTOR (0.51) KDM4EALDH1A1SMN1; SMN2HPGDKCNQ3

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 11 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
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
US-9133168-B2 Pyrimidine derivatives, preparation thereof, and pharmaceutical use thereof as akt(pkb) phosphorylation inhibitors SANOFI (FR) 2015-09-15 — — US 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
US-20130274253-A1 NOVEL PYRIMIDINE DERIVATIVES, PREPARATION THEREOF, AND PHARMACEUTICAL USE THEREOF AS AKT(PKB) PHOSPHORYLATION INHIBITORS SANOFI (FR) 2013-10-17 — — US 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 KMT2A 3314/4885KDM4E 2726/4885ALDH1A1 3350/4885

“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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