SCHEMBL2546148

SCHEMBL2546148

COC(=O)C1(CN[C@@H]2CCC(F)(F)C2)CC1

nearest known ligand 0.36

Predicted protein targets (top 4)

geneUniProtsupporting neighboursconfidence
CYP4F2 P78329 1/20 0.36
CYP4A11 Q02928 1/20 0.36
EPHX2 P34913 1/20 0.33
MAPT P10636 1/20 0.31

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
SCHEMBL2546146 1.00 CYP4F2 (0.36) CYP4F2CYP4A11EPHX2MAPT
SCHEMBL1202865 0.79 MAPT (0.44) CYP4F2CYP4A11EPHX2MAPT
SCHEMBL13611665 0.78 MAPT (0.46) CYP4F2CYP4A11EPHX2MAPT
SCHEMBL1203411 0.74 MAPT (0.43) CYP4F2CYP4A11EPHX2MAPT
SCHEMBL3544345 0.74 MAPT (0.46) CYP4F2CYP4A11EPHX2MAPT
SCHEMBL2544676 0.72 EPHX2 (0.33) EPHX2
SCHEMBL2544679 0.72 EPHX2 (0.33) EPHX2
SCHEMBL27821642 0.71 HTR2A (0.32) EPHX2
SCHEMBL13944688 0.69 EPHX2 (0.34) EPHX2
SCHEMBL23765416 0.69 KCNH2 (0.38) EPHX2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140018352-A1 COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-16 US disclosed
US-20140018352-A1 COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-16 US disclosed
US-20140018352-A1 COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS VERTEX PHARMACEUTICALS INCORPORATED (US) 2014-01-16 US disclosed
EP-2190849-B1 4-(9-(3,3-DIFLUOROCYCLOPENTYL)-5,7,7-TRIMETHYL-6-OXO-6,7,8,9-TETRAHYDRO-5H-PYRIMIDO[4,5-B[1,4]DIAZEPIN-2-YLAMINO)-3-METHOXYBENZAMIDE DERIVATIVES AS INHIBITORS OF THE HUMAN PROTEIN KINASES PLK1 TO PLK4 FOR THE TREATMENT OF PROLIFERATIVE DISEASES VERTEX PHARMA (US) 2013-11-20 EP disclosed
US-8461149-B2 Compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-11 US disclosed
US-8461149-B2 Compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-11 US disclosed
US-8461149-B2 Compounds useful as protein kinase inhibitors VERTEX PHARMACEUTICALS INCORPORATED (US) 2013-06-11 US disclosed
US-20110263575-A1 Compounds Useful as Protein Kinase Inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2011-10-27 US disclosed
US-20110263575-A1 Compounds Useful as Protein Kinase Inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2011-10-27 US disclosed
US-20110263575-A1 Compounds Useful as Protein Kinase Inhibitors VERTEX PHARMACEUTICALS INCORPORATED 2011-10-27 US disclosed
EP-2190849-A2 COMPOUNDS USEFUL AS PROTEIN KINASES INHIBITORS Vertex Pharmceuticals Incorporated (US) 2010-06-02 EP disclosed
WO-2009023269-A2 4-(9-(3, 3-DIFLUOROCYCLOPENTYL) -5, 7, 7-TRIMETHYL-6-OXO-6, 7, 8, 9-TETRAHYDRO-5H-PYRIMIDO [4, 5-B[1, 4] DIAZEPIN-2-YLAMINO)-3-METHOXYBENZAMIDE DERIVATIVES AS INHIBITORS OF THE HUMAN PROTEIN KINASES PLK1 TO PLK4 FOR THE TREATMENT OF PROLIFERATIVE DISEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-02-19 WO disclosed
WO-2009023269-A2 4-(9-(3, 3-DIFLUOROCYCLOPENTYL) -5, 7, 7-TRIMETHYL-6-OXO-6, 7, 8, 9-TETRAHYDRO-5H-PYRIMIDO [4, 5-B[1, 4] DIAZEPIN-2-YLAMINO)-3-METHOXYBENZAMIDE DERIVATIVES AS INHIBITORS OF THE HUMAN PROTEIN KINASES PLK1 TO PLK4 FOR THE TREATMENT OF PROLIFERATIVE DISEASES VERTEX PHARMACEUTICALS INCORPORATED (US) 2009-02-19 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 (2 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-20140018352-A1 COMPOUNDS USEFUL AS PROTEIN KINASE INHIBITORS MAP3K20, PRKCH, PACSIN2 CYP4F2 4119/4885CYP4A11 4305/4885EPHX2 3140/4885
US-20110263575-A1 Compounds Useful as Protein Kinase Inhibitors MAP3K20, PRKCH, PACSIN2 CYP4F2 4119/4885CYP4A11 4305/4885EPHX2 3140/4885

“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.